3-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-methoxy-5-(1-piperidylsulfonyl)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2-methoxy-5-piperidinosulfonyl-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H31N4O3S2+ MolecularWeight: 415.59374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC

InChI

InChI=1S/C18H30N4O3S2/c1-21(2)11-7-10-19-18(26)20-16-14-15(8-9-17(16)25-3)27(23,24)22-12-5-4-6-13-22/h8-9,14H,4-7,10-13H2,1-3H3,(H2,19,20,26)/p+1