5-methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: 5-methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine Openeye Name: 5-methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine CAS Name: 5-methyl-1-[(4-nitrophenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 5-methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium-2-amine Traditional Name: [5-methyl-1-(4-nitrobenzyl)pyridin-1-ium-2-yl]amine Formula: C13H14N3O2+ MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C=C1)N)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=C(C=C1)N)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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