methyl 2-[2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)ethanoyl]benzoate

Systemtic Name: methyl 2-[2-(2-azanyl-3-propyl-benzimidazol-1-ium-1-yl)ethanoyl]benzoate Openeye Name: methyl 2-[2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetyl]benzoate CAS Name: 2-[2-(2-amino-3-propyl-1-benzimidazol-1-iumyl)-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-amino-3-propylbenzimidazol-1-ium-1-yl)acetyl]benzoate Traditional Name: 2-[2-(2-amino-3-propyl-benzimidazol-1-ium-1-yl)acetyl]benzoic acid methyl ester Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H21N3O3/c1-3-12-22-16-10-6-7-11-17(16)23(20(22)21)13-18(24)14-8-4-5-9-15(14)19(25)26-2/h4-11,21H,3,12-13H2,1-2H3/p+1