N-[(E)-1-cyclopropylethylideneamino]-2-pyridin-1-ium-1-yl-ethanamide chloride

Systemtic Name: N-[(E)-1-cyclopropylethylideneamino]-2-pyridin-1-ium-1-yl-ethanamide chloride Openeye Name: N-[(E)-1-cyclopropylethylideneamino]-2-pyridin-1-ium-1-yl-acetamide chloride CAS Name: N-[(E)-1-cyclopropylethylideneamino]-2-(1-pyridin-1-iumyl)acetamide chloride IUPAC Name: N-[(E)-1-cyclopropylethylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride Traditional Name: N-[(E)-1-cyclopropylethylideneamino]-2-pyridin-1-ium-1-yl-acetamide chloride Formula: C12H16ClN3O MolecularWeight: 253.72794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[N+]1=CC=CC=C1)C2CC2.[Cl-]

Isomeric SMILES

C/C(=N\NC(=O)C[N+]1=CC=CC=C1)/C2CC2.[Cl-]

InChI

InChI=1S/C12H15N3O.ClH/c1-10(11-5-6-11)13-14-12(16)9-15-7-3-2-4-8-15;/h2-4,7-8,11H,5-6,9H2,1H3;1H/b13-10+;