5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazin-3-one

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazin-3-one Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2H-1,2,4-triazin-3-one CAS Name: 5-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2H-1,2,4-triazin-3-one IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2H-1,2,4-triazin-3-one Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)-2H-1,2,4-triazin-3-one Formula: C20H22N5O+ MolecularWeight: 348.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=O)NN=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=O)NN=C4

InChI

InChI=1S/C20H21N5O/c26-20-22-18(15-21-23-20)24-11-13-25(14-12-24)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H,22,23,26)/p+1