[3-(5-chloranyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] 2-methylbenzoate

Systemtic Name: [3-(5-chloranyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-propyl-imidazolidin-3-ium-4-yl] 2-methylbenzoate Openeye Name: [3-(5-chlorothiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [3-(5-chloro-2-thiazolyl)-3-oxido-1-propyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-propylimidazolidin-3-ium-4-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [3-(5-chlorothiazol-2-yl)-3-oxido-1-propyl-imidazolidin-3-ium-4-yl] ester Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC([N+](C1)(C2=NC=C(S2)Cl)[O-])OC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCN1CC([N+](C1)(C2=NC=C(S2)Cl)[O-])OC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C17H20ClN3O3S/c1-3-8-20-10-15(21(23,11-20)17-19-9-14(18)25-17)24-16(22)13-7-5-4-6-12(13)2/h4-7,9,15H,3,8,10-11H2,1-2H3