(3-nitrophenyl)methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (3-nitrophenyl)methyl-(pyridin-4-ylmethyl)azanium Openeye Name: (3-nitrophenyl)methyl-(4-pyridylmethyl)ammonium CAS Name: (3-nitrophenyl)methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-nitrophenyl)methyl-(pyridin-4-ylmethyl)azanium Traditional Name: (3-nitrobenzyl)-(4-pyridylmethyl)ammonium Formula: C13H14N3O2+ MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C[NH2+]CC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C[NH2+]CC2=CC=NC=C2

InChI

InChI=1S/C13H13N3O2/c17-16(18)13-3-1-2-12(8-13)10-15-9-11-4-6-14-7-5-11/h1-8,15H,9-10H2/p+1