(4-nitrobenzotriazol-1-yl)methyl-(phenylmethyl)azanium

Systemtic Name: (4-nitrobenzotriazol-1-yl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4-nitrobenzotriazol-1-yl)methyl]ammonium CAS Name: (4-nitro-1-benzotriazolyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-nitrobenzotriazol-1-yl)methyl]azanium Traditional Name: benzyl-[(4-nitrobenzotriazol-1-yl)methyl]ammonium Formula: C14H14N5O2+ MolecularWeight: 284.29326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CN2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CN2C3=C(C(=CC=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C14H13N5O2/c20-19(21)13-8-4-7-12-14(13)16-17-18(12)10-15-9-11-5-2-1-3-6-11/h1-8,15H,9-10H2/p+1