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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2/c18-17(19)13-4-1-3-12(9-13)10-14-5-2-7-16-8-6-15-11-16/h1,3-4,6,8-9,11,14H,2,5,7,10H2/p+1