[2,2-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[(4-morpholinosulfonylphenyl)carbamothioylamino]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]propyl]-dimethyl-ammonium Formula: C18H31N4O3S2+ MolecularWeight: 415.59374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C[NH+](C)C

Isomeric SMILES

CC(C)(CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C[NH+](C)C

InChI

InChI=1S/C18H30N4O3S2/c1-18(2,14-21(3)4)13-19-17(26)20-15-5-7-16(8-6-15)27(23,24)22-9-11-25-12-10-22/h5-8H,9-14H2,1-4H3,(H2,19,20,26)/p+1