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

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(3,5-dimethoxyphenyl)methylamino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile CAS Name: 2-[(3,5-dimethoxyphenyl)methylamino]-4,6-dimethyl-5-nitro-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(3,5-dimethoxyphenyl)methylamino]-4,6-dimethyl-5-nitropyridin-1-ium-3-carbonitrile Traditional Name: 2-[(3,5-dimethoxybenzyl)amino]-4,6-dimethyl-5-nitro-pyridin-1-ium-3-carbonitrile Formula: C17H19N4O4+ MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4/c1-10-15(8-18)17(20-11(2)16(10)21(22)23)19-9-12-5-13(24-3)7-14(6-12)25-4/h5-7H,9H2,1-4H3,(H,19,20)/p+1