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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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