1-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride

Systemtic Name: 1-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-3-(4-methoxyphenoxy)propan-2-ol chloride Openeye Name: 1-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol chloride CAS Name: 1-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-3-(4-methoxyphenoxy)-2-propanol chloride IUPAC Name: 1-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol chloride Traditional Name: 1-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-3-(4-methoxyphenoxy)propan-2-ol chloride Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC(CN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C24H25N3O3.ClH/c1-29-20-11-13-21(14-12-20)30-17-19(28)16-27-23-10-6-5-9-22(23)26(24(27)25)15-18-7-3-2-4-8-18;/h2-14,19,25,28H,15-17H2,1H3;1H