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

Systemtic Name: 2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-methoxy-5-(1-piperidylsulfonyl)phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(2-methoxy-5-piperidinosulfonyl-phenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H29N4O3S2+ MolecularWeight: 401.56716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3S2/c1-20(2)12-9-18-17(25)19-15-13-14(7-8-16(15)24-3)26(22,23)21-10-5-4-6-11-21/h7-8,13H,4-6,9-12H2,1-3H3,(H2,18,19,25)/p+1