methyl 4-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]carbamoyl]benzoate CAS Name: 4-[[[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]carbamoyl]benzoate Traditional Name: 4-[[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C21H26N2O3S/c1-15-9-11-23(12-10-15)18(19-4-3-13-27-19)14-22-20(24)16-5-7-17(8-6-16)21(25)26-2/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,24)/p+1/t18-/m0/s1