[1-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]methyl]cyclohexyl]-dimethylazanium Traditional Name: [1-[[4-(1,3-benzothiazol-2-ylthio)butanoylamino]methyl]cyclohexyl]-dimethyl-ammonium Formula: C20H30N3OS2+ MolecularWeight: 392.6017

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H29N3OS2/c1-23(2)20(12-6-3-7-13-20)15-21-18(24)11-8-14-25-19-22-16-9-4-5-10-17(16)26-19/h4-5,9-10H,3,6-8,11-15H2,1-2H3,(H,21,24)/p+1