N-methyl-5-nitro-N-(phenylmethyl)pyridin-1-ium-2-amine

Systemtic Name: N-methyl-5-nitro-N-(phenylmethyl)pyridin-1-ium-2-amine Openeye Name: N-benzyl-N-methyl-5-nitro-pyridin-1-ium-2-amine CAS Name: N-methyl-5-nitro-N-(phenylmethyl)-2-pyridin-1-iumamine IUPAC Name: N-benzyl-N-methyl-5-nitropyridin-1-ium-2-amine Traditional Name: benzyl-methyl-(5-nitropyridin-1-ium-2-yl)amine Formula: C13H14N3O2+ MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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