2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C12H23N6OS+ MolecularWeight: 299.41562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C12H22N6OS/c1-3-4-10-14-15-12(18(10)13)20-9-11(19)17-7-5-16(2)6-8-17/h3-9,13H2,1-2H3/p+1