tert-butyl 4-[2-[5-(3,4-dichlorophenyl)-2-oxidanylidene-1-pyridin-2-yl-piperidin-1-ium-1-yl]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[5-(3,4-dichlorophenyl)-2-oxidanylidene-1-pyridin-2-yl-piperidin-1-ium-1-yl]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[5-(3,4-dichlorophenyl)-2-oxo-1-(2-pyridyl)piperidin-1-ium-1-yl]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[5-(3,4-dichlorophenyl)-2-oxo-1-(2-pyridinyl)-1-piperidin-1-iumyl]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[5-(3,4-dichlorophenyl)-2-oxo-1-pyridin-2-ylpiperidin-1-ium-1-yl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-(3,4-dichlorophenyl)-2-keto-1-(2-pyridyl)piperidin-1-ium-1-yl]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H35Cl2N4O3+ MolecularWeight: 534.4978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC[N+]2(CC(CCC2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC[N+]2(CC(CCC2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=N4

InChI

InChI=1S/C27H35Cl2N4O3/c1-27(2,3)36-26(35)32-14-12-31(13-15-32)16-17-33(24-6-4-5-11-30-24)19-21(8-10-25(33)34)20-7-9-22(28)23(29)18-20/h4-7,9,11,18,21H,8,10,12-17,19H2,1-3H3/q+1