6-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazine-3-thione

Systemtic Name: 6-methyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazine-3-thione Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2H-1,2,4-triazine-3-thione CAS Name: 6-methyl-5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2H-1,2,4-triazine-3-thione IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2H-1,2,4-triazine-3-thione Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2H-1,2,4-triazine-3-thione Formula: C15H20N5S+ MolecularWeight: 302.4178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N=C1N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NNC(=S)N=C1N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C15H19N5S/c1-12-14(16-15(21)18-17-12)20-9-7-19(8-10-20)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,16,18,21)/p+1