3-[2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]acetyl]amino]propyl-dimethyl-ammonium Formula: C13H27N6OS+ MolecularWeight: 315.45808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NCCC[NH+](C)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C13H26N6OS/c1-4-5-7-11-16-17-13(19(11)14)21-10-12(20)15-8-6-9-18(2)3/h4-10,14H2,1-3H3,(H,15,20)/p+1