4,6-dimethyl-5-nitro-2-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-nitro-2-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(benzylamino)-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-5-nitro-2-[(phenylmethyl)amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(benzylamino)-4,6-dimethyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-(benzylamino)-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C15H15N4O2+ MolecularWeight: 283.3052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)NCC2=CC=CC=C2)C#N

InChI

InChI=1S/C15H14N4O2/c1-10-13(8-16)15(18-11(2)14(10)19(20)21)17-9-12-6-4-3-5-7-12/h3-7H,9H2,1-2H3,(H,17,18)/p+1