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

Systemtic Name: 3-[[4-(4-methylpiperazin-1-ium-1-yl)phenyl]amino]-6-phenyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[4-(4-methylpiperazin-1-ium-1-yl)anilino]-6-phenyl-2H-1,2,4-triazin-5-one CAS Name: 3-[4-(4-methyl-1-piperazin-1-iumyl)anilino]-6-phenyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-(4-methylpiperazin-1-ium-1-yl)anilino]-6-phenyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[4-(4-methylpiperazin-1-ium-1-yl)anilino]-6-phenyl-2H-1,2,4-triazin-5-one Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C2=CC=C(C=C2)NC3=NC(=O)C(=NN3)C4=CC=CC=C4

Isomeric SMILES

CN1CC[NH+](CC1)C2=CC=C(C=C2)NC3=NC(=O)C(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O/c1-25-11-13-26(14-12-25)17-9-7-16(8-10-17)21-20-22-19(27)18(23-24-20)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H2,21,22,24,27)/p+1