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

Systemtic Name: 5-ethanoyl-6-methyl-2-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile Openeye Name: 5-acetyl-2-(benzylamino)-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(phenylmethyl)amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 5-acetyl-2-(benzylamino)-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 5-acetyl-2-(benzylamino)-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C16H16N3O+ MolecularWeight: 266.31774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)NCC2=CC=CC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)NCC2=CC=CC=C2)C#N)C(=O)C

InChI

InChI=1S/C16H15N3O/c1-11-15(12(2)20)8-14(9-17)16(19-11)18-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,18,19)/p+1