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

Systemtic Name: dimethyl-[3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[2-methyl-5-(1-piperidylsulfonyl)phenyl]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[2-methyl-5-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[(2-methyl-5-piperidinosulfonyl-phenyl)thiocarbamoylamino]propyl]ammonium Formula: C18H31N4O2S2+ MolecularWeight: 399.59434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C18H30N4O2S2/c1-15-8-9-16(26(23,24)22-12-5-4-6-13-22)14-17(15)20-18(25)19-10-7-11-21(2)3/h8-9,14H,4-7,10-13H2,1-3H3,(H2,19,20,25)/p+1