3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(4-methylphenyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(4-methylphenyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(p-tolyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-(4-methylphenyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(4-methylphenyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-(p-tolyl)-2H-1,2,4-triazin-5-one Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=NC2=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=NC2=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)N

InChI

InChI=1S/C21H24N6O/c1-15-2-6-17(7-3-15)19-20(28)23-21(25-24-19)27-12-10-26(11-13-27)14-16-4-8-18(22)9-5-16/h2-9H,10-14,22H2,1H3,(H,23,25,28)/p+1