ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-methoxycarbonylphenyl)methyl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(4-carbomethoxybenzyl)-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H32NO4+ MolecularWeight: 410.52588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)OC)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)OC)CCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO4/c1-3-30-24(28)25(14-13-20-7-5-4-6-8-20)15-17-26(18-16-25)19-21-9-11-22(12-10-21)23(27)29-2/h4-12H,3,13-19H2,1-2H3/p+1