ethyl 1-[[3-[(phenylmethyl)carbamoylamino]phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-[(phenylmethyl)carbamoylamino]phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(benzylcarbamoylamino)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(benzylcarbamoylamino)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(benzylcarbamoylamino)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-2-29-22(27)20-11-13-26(14-12-20)17-19-9-6-10-21(15-19)25-23(28)24-16-18-7-4-3-5-8-18/h3-10,15,20H,2,11-14,16-17H2,1H3,(H2,24,25,28)/p+1