2-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(S)-(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C16H23ClN5S+ MolecularWeight: 352.90532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=S)NCC[NH+](C)C

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC=C(C=C2)Cl)NC(=S)NCC[NH+](C)C

InChI

InChI=1S/C16H22ClN5S/c1-21(2)10-8-19-16(23)20-14(15-18-9-11-22(15)3)12-4-6-13(17)7-5-12/h4-7,9,11,14H,8,10H2,1-3H3,(H2,19,20,23)/p+1/t14-/m0/s1