2-pyridin-1-ium-1-yl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide chloride

Systemtic Name: 2-pyridin-1-ium-1-yl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide chloride Openeye Name: 2-pyridin-1-ium-1-yl-N-[(E)-1-(3-pyridyl)ethylideneamino]butanamide chloride CAS Name: 2-(1-pyridin-1-iumyl)-N-[(E)-1-(3-pyridinyl)ethylideneamino]butanamide chloride IUPAC Name: 2-pyridin-1-ium-1-yl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide chloride Traditional Name: 2-pyridin-1-ium-1-yl-N-[(E)-1-(3-pyridyl)ethylideneamino]butyramide chloride Formula: C16H19ClN4O MolecularWeight: 318.80126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NN=C(C)C1=CN=CC=C1)[N+]2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCC(C(=O)N/N=C(\C)/C1=CN=CC=C1)[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H18N4O.ClH/c1-3-15(20-10-5-4-6-11-20)16(21)19-18-13(2)14-8-7-9-17-12-14;/h4-12,15H,3H2,1-2H3;1H/b18-13+;