ethyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H26N2O5/c1-3-26-19(24)16-8-10-21(11-9-16)13-17(22)20-12-14-4-6-15(7-5-14)18(23)25-2/h4-7,16H,3,8-13H2,1-2H3,(H,20,22)/p+1