1-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride

Systemtic Name: 1-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride Openeye Name: 1-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride CAS Name: 1-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-3-(3-methylphenoxy)-2-propanol chloride IUPAC Name: 1-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride Traditional Name: 1-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-3-(3-methylphenoxy)propan-2-ol chloride Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=CC=CC=C3[N+](=C2N)C)O.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN2C3=CC=CC=C3[N+](=C2N)C)O.[Cl-]

InChI

InChI=1S/C18H21N3O2.ClH/c1-13-6-5-7-15(10-13)23-12-14(22)11-21-17-9-4-3-8-16(17)20(2)18(21)19;/h3-10,14,19,22H,11-12H2,1-2H3;1H