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

Systemtic Name: ethyl 4-[ethoxycarbonyl(phenyl)amino]-1-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-benzyl-4-(N-ethoxycarbonylanilino)piperidin-1-ium-4-carboxylate CAS Name: 4-(N-ethoxycarbonylanilino)-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(N-ethoxycarbonylanilino)piperidin-1-ium-4-carboxylate Traditional Name: 1-benzyl-4-(N-carbethoxyanilino)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H30N2O4/c1-3-29-22(27)24(26(23(28)30-4-2)21-13-9-6-10-14-21)15-17-25(18-16-24)19-20-11-7-5-8-12-20/h5-14H,3-4,15-19H2,1-2H3/p+1