5-ethanoyl-6-methyl-2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile Openeye Name: 5-acetyl-2-[benzyl(methyl)amino]-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 5-acetyl-2-[benzyl(methyl)amino]-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 5-acetyl-2-[benzyl(methyl)amino]-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C17H18N3O+ MolecularWeight: 280.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)N(C)CC2=CC=CC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)N(C)CC2=CC=CC=C2)C#N)C(=O)C

InChI

InChI=1S/C17H17N3O/c1-12-16(13(2)21)9-15(10-18)17(19-12)20(3)11-14-7-5-4-6-8-14/h4-9H,11H2,1-3H3/p+1