solanidine methiodide (Q27286282)

UNII-P69W110VDA (English)

14 October 2016

chemical formula

C₂₈H₄₆INO

1 reference

UNII-P69W110VDA (English)

14 October 2016

canonical SMILES

CC1CCC2C(C3C([N+]2(C1)C)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C.[I-]

1 reference

UNII-P69W110VDA (English)

14 October 2016

isomeric SMILES

C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H]([N+]2(C1)C)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C.[I-]

1 reference

UNII-P69W110VDA (English)

InChI=1S/C28H46NO.HI/c1-17-6-9-24-18(2)26-25(29(24,5)16-17)15-23-21-8-7-19-14-20(30)10-12-27(19,3)22(21)11-13-28(23,26)4;/h7,17-18,20-26,30H,6,8-16H2,1-5H3;1H/q+1;/p-1/t17-,18+,20-,21+,22-,23-,24+,25-,26-,27-,28-,29?;/m0./s1

14 October 2016

Identifiers

InChI

1 reference

UNII-P69W110VDA (English)

BIDJPCMUNNAVHW-DDAQLRRBSA-M

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-P69W110VDA (English)

14 October 2016

1 reference

UNII

P69W110VDA

solanidine methiodide (English)

14 October 2016

1 reference

(3beta)-3-Hydroxy-28-methylsolanid-5-en-28-ium iodide (English)

14 October 2016

2 references

UNII-P69W110VDA (English)

matched by identifier from

14 October 2016

InChIKey

BIDJPCMUNNAVHW-DDAQLRRBSA-M

1 reference

1 reference

Global Substance Registration System

UNII

P69W110VDA

solanidine methiodide (English)