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

Systemtic Name: 2-[(4-methoxyphenyl)methylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(4-methoxyphenyl)methylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 2-[(4-methoxyphenyl)methylamino]-4,6-dimethyl-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(4-methoxyphenyl)methylamino]-4,6-dimethyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 4,6-dimethyl-5-nitro-2-(p-anisylamino)pyridin-1-ium-3-carbonitrile Formula: C16H17N4O3+ MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3/c1-10-14(8-17)16(19-11(2)15(10)20(21)22)18-9-12-4-6-13(23-3)7-5-12/h4-7H,9H2,1-3H3,(H,18,19)/p+1