N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2S/c1-16(2)26-19-8-6-18(7-9-19)22(25)23-15-20(21-5-4-14-27-21)24-12-10-17(3)11-13-24/h4-9,14,16-17,20H,10-13,15H2,1-3H3,(H,23,25)/p+1/t20-/m0/s1