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

Systemtic Name: ethyl 1-[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H23Cl2N2O3+ MolecularWeight: 374.28212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22Cl2N2O3/c1-2-24-17(23)12-5-7-21(8-6-12)11-16(22)20-10-13-3-4-14(18)9-15(13)19/h3-4,9,12H,2,5-8,10-11H2,1H3,(H,20,22)/p+1