3-[(3-cyano-5-ethanoyl-6-methyl-pyridin-1-ium-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-cyano-5-ethanoyl-6-methyl-pyridin-1-ium-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-acetyl-3-cyano-6-methyl-pyridin-1-ium-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5-acetyl-3-cyano-6-methyl-2-pyridin-1-iumyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-acetyl-3-cyano-6-methylpyridin-1-ium-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-acetyl-3-cyano-6-methyl-pyridin-1-ium-2-yl)amino]propyl-dimethyl-ammonium Formula: C14H22N4O+2 MolecularWeight: 262.35068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)NCCC[NH+](C)C)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)NCCC[NH+](C)C)C#N)C(=O)C

InChI

InChI=1S/C14H20N4O/c1-10-13(11(2)19)8-12(9-15)14(17-10)16-6-5-7-18(3)4/h8H,5-7H2,1-4H3,(H,16,17)/p+2