methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: benzyl-methyl-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]ammonium Formula: C17H18N5O2+ MolecularWeight: 324.35712

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O2/c1-20(11-14-5-3-2-4-6-14)13-21-12-18-17(19-21)15-7-9-16(10-8-15)22(23)24/h2-10,12H,11,13H2,1H3/p+1