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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitropyridin-1-ium-2-amine Traditional Name: homoveratryl-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-18(16-13(19(20)21)5-4-9-17-16)10-8-12-6-7-14(22-2)15(11-12)23-3/h4-7,9,11H,8,10H2,1-3H3/p+1