2-[2-[(4-methoxyphenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-[(4-methoxyphenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[(4-methoxyphenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-[(4-methoxyphenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]acetate IUPAC Name: 2-[2-[(4-methoxyphenyl)methylamino]-3H-benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-(p-anisylamino)-3H-benzimidazol-1-ium-1-yl]acetate Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=[N+](C3=CC=CC=C3N2)CC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=[N+](C3=CC=CC=C3N2)CC(=O)[O-]

InChI

InChI=1S/C17H17N3O3/c1-23-13-8-6-12(7-9-13)10-18-17-19-14-4-2-3-5-15(14)20(17)11-16(21)22/h2-9H,10-11H2,1H3,(H2,18,19,21,22)