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

Systemtic Name: 6-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one CAS Name: 6-(4-methoxyphenyl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-6-(4-methoxyphenyl)-2H-1,2,4-triazin-5-one Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=NC2=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=NC2=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2/c1-28-18-9-7-17(8-10-18)19-20(27)22-21(24-23-19)26-13-11-25(12-14-26)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,24,27)/p+1