[2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methylazanium

Systemtic Name: [2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methylazanium Openeye Name: [2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methylammonium CAS Name: [2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methylammonium IUPAC Name: [2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methylazanium Traditional Name: [2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzyl]ammonium Formula: C16H17N4+ MolecularWeight: 265.33298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH3+])C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC=C(C(=C1)C[NH3+])C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C16H16N4/c17-9-15-3-1-2-4-16(15)14-7-5-13(6-8-14)10-20-12-18-11-19-20/h1-8,11-12H,9-10,17H2/p+1