ethyl 1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-benzyl-4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate Traditional Name: 1-benzyl-4-(N-propionylanilino)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CC[NH+](CC2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CC[NH+](CC2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H30N2O3/c1-3-22(27)26(21-13-9-6-10-14-21)24(23(28)29-4-2)15-17-25(18-16-24)19-20-11-7-5-8-12-20/h5-14H,3-4,15-19H2,1-2H3/p+1