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

Systemtic Name: methyl 2-[2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)ethanoyl]benzoate Openeye Name: methyl 2-[2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetyl]benzoate CAS Name: 2-[2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)acetyl]benzoate Traditional Name: 2-[2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)acetyl]benzoic acid methyl ester Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H23N3O3/c1-3-4-13-23-17-11-7-8-12-18(17)24(21(23)22)14-19(25)15-9-5-6-10-16(15)20(26)27-2/h5-12,22H,3-4,13-14H2,1-2H3/p+1