3-imidazol-1-ylpropyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[(4-nitrophenyl)methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[(4-nitrophenyl)methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[(4-nitrophenyl)methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-(4-nitrobenzyl)ammonium Formula: C13H17N4O2+ MolecularWeight: 261.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2/c18-17(19)13-4-2-12(3-5-13)10-14-6-1-8-16-9-7-15-11-16/h2-5,7,9,11,14H,1,6,8,10H2/p+1