2-[3-(2-chlorophenyl)-3-methyl-2-propylsulfanyl-imidazol-3-ium-4-yl]ethanoic acid

Systemtic Name: 2-[3-(2-chlorophenyl)-3-methyl-2-propylsulfanyl-imidazol-3-ium-4-yl]ethanoic acid Openeye Name: 2-[3-(2-chlorophenyl)-3-methyl-2-propylsulfanyl-imidazol-3-ium-4-yl]acetic acid CAS Name: 2-[3-(2-chlorophenyl)-3-methyl-2-(propylthio)-4-imidazol-3-iumyl]acetic acid IUPAC Name: 2-[3-(2-chlorophenyl)-3-methyl-2-propylsulfanylimidazol-3-ium-4-yl]acetic acid Traditional Name: 2-[3-(2-chlorophenyl)-3-methyl-2-(propylthio)imidazol-3-ium-4-yl]acetic acid Formula: C15H18ClN2O2S+ MolecularWeight: 325.83362

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C([N+]1(C)C2=CC=CC=C2Cl)CC(=O)O

Isomeric SMILES

CCCSC1=NC=C([N+]1(C)C2=CC=CC=C2Cl)CC(=O)O

InChI

InChI=1S/C15H17ClN2O2S/c1-3-8-21-15-17-10-11(9-14(19)20)18(15,2)13-7-5-4-6-12(13)16/h4-7,10H,3,8-9H2,1-2H3/p+1