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

Systemtic Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one CAS Name: 3-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-methyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-methyl-2H-1,2,4-triazin-5-one Formula: C15H21N6O+ MolecularWeight: 301.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

Isomeric SMILES

CC1=NNC(=NC1=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)N

InChI

InChI=1S/C15H20N6O/c1-11-14(22)17-15(19-18-11)21-8-6-20(7-9-21)10-12-2-4-13(16)5-3-12/h2-5H,6-10,16H2,1H3,(H,17,19,22)/p+1