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

Systemtic Name: 3-[[2-(azepan-1-yl)-5-chloranyl-phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(azepan-1-yl)-5-chloro-phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-(1-azepanyl)-5-chloroanilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(azepan-1-yl)-5-chlorophenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[2-(azepan-1-yl)-5-chloro-phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H30ClN4S+ MolecularWeight: 369.9756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCCC2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=C(C=CC(=C1)Cl)N2CCCCCC2

InChI

InChI=1S/C18H29ClN4S/c1-22(2)11-7-10-20-18(24)21-16-14-15(19)8-9-17(16)23-12-5-3-4-6-13-23/h8-9,14H,3-7,10-13H2,1-2H3,(H2,20,21,24)/p+1