methyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H21Cl2N2O3+ MolecularWeight: 360.25554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H20Cl2N2O3/c1-23-16(22)11-4-6-20(7-5-11)10-15(21)19-9-12-2-3-13(17)8-14(12)18/h2-3,8,11H,4-7,9-10H2,1H3,(H,19,21)/p+1