3-[(5-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(5-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5-chloro-2-pyrrolidin-1-ylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(5-chloro-2-pyrrolidino-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H26ClN4S+ MolecularWeight: 341.92244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCC2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCC2

InChI

InChI=1S/C16H25ClN4S/c1-20(2)9-5-8-18-16(22)19-14-12-13(17)6-7-15(14)21-10-3-4-11-21/h6-7,12H,3-5,8-11H2,1-2H3,(H2,18,19,22)/p+1