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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=NC(=O)C(=NN3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=NC(=O)C(=NN3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O/c22-18-8-6-17(7-9-18)15-26-10-12-27(13-11-26)21-23-20(28)19(24-25-21)14-16-4-2-1-3-5-16/h1-9H,10-15,22H2,(H,23,25,28)/p+1