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

Systemtic Name: 1-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H16Cl2N3O2+ MolecularWeight: 353.22314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)C(=O)N

InChI

InChI=1S/C16H15Cl2N3O2/c17-13-4-3-11(14(18)8-13)5-6-20-15(22)10-21-7-1-2-12(9-21)16(19)23/h1-4,7-9H,5-6,10H2,(H2-,19,20,22,23)/p+1