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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=O)C=NN4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=O)C=NN4

InChI

InChI=1S/C20H21N5O/c26-18-15-21-23-20(22-18)25-13-11-24(12-14-25)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