3-[(4-methoxyphenyl)diazenyl]-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-ol chloride

Systemtic Name: 3-[(4-methoxyphenyl)diazenyl]-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-ol chloride Openeye Name: 3-(4-methoxyphenyl)azo-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-ol chloride CAS Name: 3-(4-methoxyphenyl)azo-1,2-dimethyl-4-(1-piperidin-1-iumylmethyl)-5-indolol chloride IUPAC Name: 3-[(4-methoxyphenyl)diazenyl]-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-ol chloride Traditional Name: 3-(4-methoxyphenyl)azo-1,2-dimethyl-4-(piperidin-1-ium-1-ylmethyl)indol-5-ol chloride Formula: C23H29ClN4O2 MolecularWeight: 428.95496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2C[NH+]3CCCCC3)O)N=NC4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2C[NH+]3CCCCC3)O)N=NC4=CC=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C23H28N4O2.ClH/c1-16-23(25-24-17-7-9-18(29-3)10-8-17)22-19(15-27-13-5-4-6-14-27)21(28)12-11-20(22)26(16)2;/h7-12,28H,4-6,13-15H2,1-3H3;1H