methyl 4-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O3S/c1-13-4-3-9-22(10-13)11-16-12-26-19(20-16)21-17(23)14-5-7-15(8-6-14)18(24)25-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21,23)/p+1/t13-/m0/s1