butyl 1-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: butyl 1-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Openeye Name: butyl 1-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid butyl ester IUPAC Name: butyl 1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(2,4-dichlorophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid butyl ester Formula: C18H18Cl2NO3+ MolecularWeight: 367.24642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCOC(=O)C1=C[N+](=CC=C1)CC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H18Cl2NO3/c1-2-3-9-24-18(23)13-5-4-8-21(11-13)12-17(22)15-7-6-14(19)10-16(15)20/h4-8,10-11H,2-3,9,12H2,1H3/q+1