[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 3-methylbenzoate

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 3-methylbenzoate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynyl-imidazolidin-3-ium-4-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-ynylimidazolidin-3-ium-4-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-propargyl-imidazolidin-3-ium-4-yl] ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)C4CC4)[O-])CC#C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2CN(C[N+]2(C3=NN=C(S3)C4CC4)[O-])CC#C

InChI

InChI=1S/C19H20N4O3S/c1-3-9-22-11-16(26-18(24)15-6-4-5-13(2)10-15)23(25,12-22)19-21-20-17(27-19)14-7-8-14/h1,4-6,10,14,16H,7-9,11-12H2,2H3