N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(methylsulfanylmethyl)benzamide Openeye Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-[(methylthio)methyl]benzamide Formula: C21H29N2OS2+ MolecularWeight: 389.59776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2OS2/c1-16-8-10-23(11-9-16)19(20-7-4-12-26-20)14-22-21(24)18-6-3-5-17(13-18)15-25-2/h3-7,12-13,16,19H,8-11,14-15H2,1-2H3,(H,22,24)/p+1/t19-/m0/s1