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

Systemtic Name: 6-phenyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazin-5-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-6-phenyl-2H-1,2,4-triazin-5-one CAS Name: 6-phenyl-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-6-phenyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-6-phenyl-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+]1CC2=CC=CC=C2)C3=NC(=O)C(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=O)C(=NN3)C4=CC=CC=C4

InChI

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