(1,5-diphenyl-1,2,4-triazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H22N5O+ MolecularWeight: 348.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O/c1-23-12-14-24(15-13-23)20(26)18-21-19(16-8-4-2-5-9-16)25(22-18)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3/p+1