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

Systemtic Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-4-azanyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-1,2,4-triazin-5-one CAS Name: 4-amino-3-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-1,2,4-triazin-5-one Formula: C14H20N7O+ MolecularWeight: 302.3549

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=NN=CC(=O)N3N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N)C3=NN=CC(=O)N3N

InChI

InChI=1S/C14H19N7O/c15-12-3-1-11(2-4-12)10-19-5-7-20(8-6-19)14-18-17-9-13(22)21(14)16/h1-4,9H,5-8,10,15-16H2/p+1