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

Systemtic Name: N-[(4-methylphenyl)methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-(p-tolylmethyl)pyridin-1-ium-2-amine CAS Name: N-[(4-methylphenyl)methyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(4-methylphenyl)methyl]-3-nitropyridin-1-ium-2-amine Traditional Name: (4-methylbenzyl)-(3-nitropyridin-1-ium-2-yl)amine Formula: C13H14N3O2+ MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O2/c1-10-4-6-11(7-5-10)9-15-13-12(16(17)18)3-2-8-14-13/h2-8H,9H2,1H3,(H,14,15)/p+1