[3,5-bis(chloranyl)phenyl]-carboxy-methylsulfanyl-(4-oct-7-enyl-4,5-dihydro-1,3-thiazol-2-yl)azanium

Systemtic Name: [3,5-bis(chloranyl)phenyl]-carboxy-methylsulfanyl-(4-oct-7-enyl-4,5-dihydro-1,3-thiazol-2-yl)azanium Openeye Name: carboxy-(3,5-dichlorophenyl)-methylsulfanyl-(4-oct-7-enyl-4,5-dihydrothiazol-2-yl)ammonium CAS Name: carboxy-(3,5-dichlorophenyl)-(methylthio)-(4-oct-7-enyl-4,5-dihydrothiazol-2-yl)ammonium IUPAC Name: carboxy-(3,5-dichlorophenyl)-methylsulfanyl-(4-oct-7-enyl-4,5-dihydro-1,3-thiazol-2-yl)azanium Traditional Name: carboxy-(3,5-dichlorophenyl)-(methylthio)-(4-oct-7-enyl-2-thiazolin-2-yl)ammonium Formula: C19H25Cl2N2O2S2+ MolecularWeight: 448.45

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Descriptors Computed from Structure

Canonical SMILES:

CS[N+](C1=CC(=CC(=C1)Cl)Cl)(C2=NC(CS2)CCCCCCC=C)C(=O)O

Isomeric SMILES

CS[N+](C1=CC(=CC(=C1)Cl)Cl)(C2=NC(CS2)CCCCCCC=C)C(=O)O

InChI

InChI=1S/C19H24Cl2N2O2S2/c1-3-4-5-6-7-8-9-16-13-27-18(22-16)23(26-2,19(24)25)17-11-14(20)10-15(21)12-17/h3,10-12,16H,1,4-9,13H2,2H3/p+1