4-(dimethylamino)-2-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(dimethylamino)-2-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(benzylamino)-4-(dimethylamino)pyridin-1-ium-3-carbonitrile CAS Name: 4-(dimethylamino)-2-[(phenylmethyl)amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(benzylamino)-4-(dimethylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 2-(benzylamino)-4-(dimethylamino)pyridin-1-ium-3-carbonitrile Formula: C15H17N4+ MolecularWeight: 253.32228

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=[NH+]C=C1)NCC2=CC=CC=C2)C#N

Isomeric SMILES

CN(C)C1=C(C(=[NH+]C=C1)NCC2=CC=CC=C2)C#N

InChI

InChI=1S/C15H16N4/c1-19(2)14-8-9-17-15(13(14)10-16)18-11-12-6-4-3-5-7-12/h3-9H,11H2,1-2H3,(H,17,18)/p+1