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

Systemtic Name: N-butyl-1-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: N-butyl-1-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: N-butyl-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-butyl-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: N-butyl-1-[2-(2,4-dichlorophenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C18H19BrCl2N2O2 MolecularWeight: 446.16566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C[N+](=CC=C1)CC(=O)C2=C(C=C(C=C2)Cl)Cl.[Br-]

Isomeric SMILES

CCCCNC(=O)C1=C[N+](=CC=C1)CC(=O)C2=C(C=C(C=C2)Cl)Cl.[Br-]

InChI

InChI=1S/C18H18Cl2N2O2.BrH/c1-2-3-8-21-18(24)13-5-4-9-22(11-13)12-17(23)15-7-6-14(19)10-16(15)20;/h4-7,9-11H,2-3,8,12H2,1H3;1H