dimethyl-[3-[(4-methylsulfanyl-3-piperidin-1-ylcarbonyl-phenyl)sulfonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-methylsulfanyl-3-piperidin-1-ylcarbonyl-phenyl)sulfonylamino]propyl]azanium Openeye Name: dimethyl-[3-[[4-methylsulfanyl-3-(piperidine-1-carbonyl)phenyl]sulfonylamino]propyl]ammonium CAS Name: dimethyl-[3-[[4-(methylthio)-3-[oxo(1-piperidinyl)methyl]phenyl]sulfonylamino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-methylsulfanyl-3-(piperidine-1-carbonyl)phenyl]sulfonylamino]propyl]azanium Traditional Name: dimethyl-[3-[[4-(methylthio)-3-(piperidine-1-carbonyl)phenyl]sulfonylamino]propyl]ammonium Formula: C18H30N3O3S2+ MolecularWeight: 400.5791

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCCC2

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)C1=CC(=C(C=C1)SC)C(=O)N2CCCCC2

InChI

InChI=1S/C18H29N3O3S2/c1-20(2)11-7-10-19-26(23,24)15-8-9-17(25-3)16(14-15)18(22)21-12-5-4-6-13-21/h8-9,14,19H,4-7,10-13H2,1-3H3/p+1