ethyl 1-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[1-[4-(3-phenylpropanoylamino)phenyl]-4-piperidyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[1-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-4-piperidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[4-(3-phenylpropanoylamino)phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[1-[4-(hydrocinnamoylamino)phenyl]-4-piperidyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C28H38N3O3+ MolecularWeight: 464.61962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H37N3O3/c1-2-34-28(33)23-14-18-30(19-15-23)26-16-20-31(21-17-26)25-11-9-24(10-12-25)29-27(32)13-8-22-6-4-3-5-7-22/h3-7,9-12,23,26H,2,8,13-21H2,1H3,(H,29,32)/p+1