2-(2-azanyl-3-heptyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol

Systemtic Name: 2-(2-azanyl-3-heptyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol Openeye Name: 2-(2-amino-3-heptyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol CAS Name: 2-(2-amino-3-heptyl-1-benzimidazol-1-iumyl)-1-(3,4-dichlorophenyl)ethanol IUPAC Name: 2-(2-amino-3-heptylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol Traditional Name: 2-(2-amino-3-heptyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol Formula: C22H28Cl2N3O+ MolecularWeight: 421.38322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC(=C(C=C3)Cl)Cl)O

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C22H27Cl2N3O/c1-2-3-4-5-8-13-26-19-9-6-7-10-20(19)27(22(26)25)15-21(28)16-11-12-17(23)18(24)14-16/h6-7,9-12,14,21,25,28H,2-5,8,13,15H2,1H3/p+1