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

Systemtic Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-4-azanyl-6-methyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-methyl-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-methyl-1,2,4-triazin-5-one Formula: C15H22N7O+ MolecularWeight: 316.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

Isomeric SMILES

CC1=NN=C(N(C1=O)N)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C15H21N7O/c1-11-14(23)22(17)15(19-18-11)21-8-6-20(7-9-21)10-12-2-4-13(16)5-3-12/h2-5H,6-10,16-17H2,1H3/p+1