3-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: 3-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine CAS Name: 3-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 3-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-(3,4,5-trimethoxybenzyl)amine Formula: C15H18N3O5+ MolecularWeight: 320.32052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5/c1-21-12-7-10(8-13(22-2)14(12)23-3)9-17-15-11(18(19)20)5-4-6-16-15/h4-8H,9H2,1-3H3,(H,16,17)/p+1