1-(2-chloranyl-6-methyl-phenyl)-1-[3-(5-oxidanylidene-4-phenyl-2-sulfanylidene-imidazolidin-1-yl)propyl]azetidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-chloranyl-6-methyl-phenyl)-1-[3-(5-oxidanylidene-4-phenyl-2-sulfanylidene-imidazolidin-1-yl)propyl]azetidin-1-ium-2-carboxylic acid Openeye Name: 1-(2-chloro-6-methyl-phenyl)-1-[3-(5-oxo-4-phenyl-2-thioxo-imidazolidin-1-yl)propyl]azetidin-1-ium-2-carboxylic acid CAS Name: 1-(2-chloro-6-methylphenyl)-1-[3-(5-oxo-4-phenyl-2-sulfanylidene-1-imidazolidinyl)propyl]-2-azetidin-1-iumcarboxylic acid IUPAC Name: 1-(2-chloro-6-methylphenyl)-1-[3-(5-oxo-4-phenyl-2-sulfanylideneimidazolidin-1-yl)propyl]azetidin-1-ium-2-carboxylic acid Traditional Name: 1-(2-chloro-6-methyl-phenyl)-1-[3-(5-keto-4-phenyl-2-thioxo-imidazolidin-1-yl)propyl]azetidin-1-ium-2-carboxylic acid Formula: C23H25ClN3O3S+ MolecularWeight: 458.9809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)[N+]2(CCC2C(=O)O)CCCN3C(=O)C(NC3=S)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)[N+]2(CCC2C(=O)O)CCCN3C(=O)C(NC3=S)C4=CC=CC=C4

InChI

InChI=1S/C23H24ClN3O3S/c1-15-7-5-10-17(24)20(15)27(14-11-18(27)22(29)30)13-6-12-26-21(28)19(25-23(26)31)16-8-3-2-4-9-16/h2-5,7-10,18-19H,6,11-14H2,1H3,(H-,25,29,30,31)/p+1