N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-(4-methylsulfanylphenyl)ethanamide

Systemtic Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-(4-methylsulfanylphenyl)ethanamide Openeye Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-(4-methylsulfanylphenyl)acetamide CAS Name: N-[(3R)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-2-[4-(methylthio)phenyl]acetamide IUPAC Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-(4-methylsulfanylphenyl)acetamide Traditional Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-2-[4-(methylthio)phenyl]acetamide Formula: C20H33N3OS+2 MolecularWeight: 363.56052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@H](C2)NC(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H31N3OS/c1-22-12-9-18(10-13-22)23-11-3-4-17(15-23)21-20(24)14-16-5-7-19(25-2)8-6-16/h5-8,17-18H,3-4,9-15H2,1-2H3,(H,21,24)/p+2/t17-/m1/s1