2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(4-ethoxyphenyl)ethanol chloride

Systemtic Name: 2-(2-azanyl-3-prop-2-enyl-benzimidazol-3-ium-1-yl)-1-(4-ethoxyphenyl)ethanol chloride Openeye Name: 2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-(4-ethoxyphenyl)ethanol chloride CAS Name: 2-(2-amino-3-prop-2-enyl-1-benzimidazol-3-iumyl)-1-(4-ethoxyphenyl)ethanol chloride IUPAC Name: 2-(2-amino-3-prop-2-enylbenzimidazol-3-ium-1-yl)-1-(4-ethoxyphenyl)ethanol chloride Traditional Name: 2-(3-allyl-2-amino-benzimidazol-3-ium-1-yl)-1-p-phenetyl-ethanol chloride Formula: C20H24ClN3O2 MolecularWeight: 373.87646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CN2C3=CC=CC=C3[N+](=C2N)CC=C)O.[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CN2C3=CC=CC=C3[N+](=C2N)CC=C)O.[Cl-]

InChI

InChI=1S/C20H23N3O2.ClH/c1-3-13-22-17-7-5-6-8-18(17)23(20(22)21)14-19(24)15-9-11-16(12-10-15)25-4-2;/h3,5-12,19,21,24H,1,4,13-14H2,2H3;1H