N-(4-chlorophenyl)-1-[2-(decylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: N-(4-chlorophenyl)-1-[2-(decylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: N-(4-chlorophenyl)-1-[2-(decylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: N-(4-chlorophenyl)-1-[2-(decylamino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: N-(4-chlorophenyl)-1-[2-(decylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: N-(4-chlorophenyl)-1-[2-(decylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C24H33Cl2N3O2 MolecularWeight: 466.44372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)C[N+]1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCNC(=O)C[N+]1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C24H32ClN3O2.ClH/c1-2-3-4-5-6-7-8-9-16-26-23(29)19-28-17-10-11-20(18-28)24(30)27-22-14-12-21(25)13-15-22;/h10-15,17-18H,2-9,16,19H2,1H3,(H-,26,27,29,30);1H