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

Systemtic Name: 5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: 5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine CAS Name: 5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (5-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=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

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