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

Systemtic Name: methyl 2-[2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]ethanoyl]benzoate Openeye Name: methyl 2-[2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]acetyl]benzoate CAS Name: 2-[2-[2-amino-3-(2-diethylaminoethyl)-1-benzimidazol-1-iumyl]-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]acetyl]benzoate Traditional Name: 2-[2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]acetyl]benzoic acid methyl ester Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H28N4O3/c1-4-25(5-2)14-15-26-19-12-8-9-13-20(19)27(23(26)24)16-21(28)17-10-6-7-11-18(17)22(29)30-3/h6-13,24H,4-5,14-16H2,1-3H3/p+1