ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-carbomethoxybenzyl)-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H32NO5+ MolecularWeight: 426.52528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)OC)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)OC)CCOC3=CC=CC=C3

InChI

InChI=1S/C25H31NO5/c1-3-30-24(28)25(15-18-31-22-7-5-4-6-8-22)13-16-26(17-14-25)19-20-9-11-21(12-10-20)23(27)29-2/h4-12H,3,13-19H2,1-2H3/p+1