(phenylmethyl) 4-(3-butyl-1-oxidanidyl-imidazolidin-1-ium-1-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-butyl-1-oxidanidyl-imidazolidin-1-ium-1-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(3-butyl-1-oxido-imidazolidin-1-ium-1-yl)piperidine-1-carboxylate CAS Name: 4-(3-butyl-1-oxido-1-imidazolidin-1-iumyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-butyl-1-oxidoimidazolidin-1-ium-1-yl)piperidine-1-carboxylate Traditional Name: 4-(3-butyl-1-oxido-imidazolidin-1-ium-1-yl)piperidine-1-carboxylic acid benzyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC[N+](C1)(C2CCN(CC2)C(=O)OCC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCN1CC[N+](C1)(C2CCN(CC2)C(=O)OCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H31N3O3/c1-2-3-11-21-14-15-23(25,17-21)19-9-12-22(13-10-19)20(24)26-16-18-7-5-4-6-8-18/h4-8,19H,2-3,9-17H2,1H3