ethyl 1-(1H-benzimidazol-2-ylamino)-4-(2-ethoxyethyl)azepan-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylamino)-4-(2-ethoxyethyl)azepan-1-ium-1-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylamino)-4-(2-ethoxyethyl)azepan-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-ethoxyethyl)-1-azepan-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylamino)-4-(2-ethoxyethyl)azepan-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-4-(2-ethoxyethyl)azepan-1-ium-1-carboxylic acid ethyl ester Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1CCC[N+](CC1)(C(=O)OCC)NC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOCCC1CCC[N+](CC1)(C(=O)OCC)NC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H31N4O3/c1-3-26-15-12-16-8-7-13-24(14-11-16,20(25)27-4-2)23-19-21-17-9-5-6-10-18(17)22-19/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H2,21,22,23)/q+1