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

Systemtic Name: N-methyl-N-[(4-methylphenyl)methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-methyl-3-nitro-N-(p-tolylmethyl)pyridin-1-ium-2-amine CAS Name: N-methyl-N-[(4-methylphenyl)methyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-1-ium-2-amine Traditional Name: methyl-(4-methylbenzyl)-(3-nitropyridin-1-ium-2-yl)amine Formula: C14H16N3O2+ MolecularWeight: 258.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O2/c1-11-5-7-12(8-6-11)10-16(2)14-13(17(18)19)4-3-9-15-14/h3-9H,10H2,1-2H3/p+1