2-acetamido-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-1H-imidazol-3-ium-4-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-1H-imidazol-3-ium-4-yl]propanoic acid Openeye Name: 2-acetamido-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-1H-imidazol-3-ium-4-yl]propanoic acid CAS Name: 2-acetamido-3-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-1H-imidazol-3-ium-4-yl]propanoic acid IUPAC Name: 2-acetamido-3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-1H-imidazol-3-ium-4-yl]propanoic acid Traditional Name: 2-acetamido-3-[3-(2-chlorobenzyl)-2-(propylthio)-1H-imidazol-3-ium-4-yl]propionic acid Formula: C18H23ClN3O3S+ MolecularWeight: 396.91152

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=[N+](C(=CN1)CC(C(=O)O)NC(=O)C)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCSC1=[N+](C(=CN1)CC(C(=O)O)NC(=O)C)CC2=CC=CC=C2Cl

InChI

InChI=1S/C18H22ClN3O3S/c1-3-8-26-18-20-10-14(9-16(17(24)25)21-12(2)23)22(18)11-13-6-4-5-7-15(13)19/h4-7,10,16H,3,8-9,11H2,1-2H3,(H2,21,23,24,25)/p+1