ethyl 1-[[3-(3-chloranyl-2-methyl-phenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(3-chloranyl-2-methyl-phenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(3-chloro-2-methyl-phenyl)-2-thioxo-imidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(3-chloro-2-methylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(3-chloro-2-methylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(3-chloro-2-methyl-phenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H25ClN3O2S+ MolecularWeight: 394.9387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C=CN(C2=S)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C=CN(C2=S)C3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C19H24ClN3O2S/c1-3-25-18(24)15-7-9-21(10-8-15)13-22-11-12-23(19(22)26)17-6-4-5-16(20)14(17)2/h4-6,11-12,15H,3,7-10,13H2,1-2H3/p+1