4,6-dimethyl-2-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(benzylamino)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(phenylmethyl)amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(benzylamino)-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(benzylamino)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C15H16N3+ MolecularWeight: 238.30764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)NCC2=CC=CC=C2)C

InChI

InChI=1S/C15H15N3/c1-11-8-12(2)18-15(14(11)9-16)17-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3,(H,17,18)/p+1