N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-nitropyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-veratryl-amine Formula: C14H16N3O4+ MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H15N3O4/c1-20-12-6-5-10(8-13(12)21-2)9-16-14-11(17(18)19)4-3-7-15-14/h3-8H,9H2,1-2H3,(H,15,16)/p+1