isometamidium (Q27289082)

Isometamidium (English)

14 October 2016

chemical formula

C₂₈H₂₆N₇⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N

1 reference

Isometamidium (English)

Global Substance Registration System

14 October 2016

isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N/N=N/C5=CC=CC(=C5)C(=N)N)N

1 reference

stated in

UNII

S9HA0WUW3H

isometamidium (English)

InChI=1S/C28H25N7/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31/h3-17,29H,2H2,1H3,(H4,30,31,32,33)/p+1

14 October 2016

Identifiers

InChI

1 reference

Isometamidium (English)

14 October 2016

1 reference

Global Substance Registration System

Isometamidium (English)

14 October 2016

1 reference

UNII

S9HA0WUW3H

isometamidium (English)

14 October 2016

1 reference

Isometamidium (English)

14 October 2016

2 references

Isometamidium (English)

14 October 2016

1 reference

ISOMETAMIDIUM (English)

14 October 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

S9HA0WUW3H

isometamidium (English)

14 October 2016