4-(phenylmethyl)-4-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-4-ium-5-one

Systemtic Name: 4-(phenylmethyl)-4-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 4-benzyl-4-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-4-ium-5-one CAS Name: 4-(phenylmethyl)-4-[4-(1-piperazinyl)phenyl]-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 4-benzyl-4-(4-piperazin-1-ylphenyl)-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 4-benzyl-4-(4-piperazinophenyl)-1H-1,2,4-triazol-4-ium-5-one Formula: C19H22N5O+ MolecularWeight: 336.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)[N+]3(C=NNC3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)[N+]3(C=NNC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N5O/c25-19-22-21-15-24(19,14-16-4-2-1-3-5-16)18-8-6-17(7-9-18)23-12-10-20-11-13-23/h1-9,15,20H,10-14H2/p+1