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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O/c21-17-8-6-15(7-9-17)14-25-10-12-26(13-11-25)20-22-19(27)18(23-24-20)16-4-2-1-3-5-16/h1-9H,10-14,21H2,(H,22,24,27)/p+1