N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-2-methylsulfanyl-benzamide Openeye Name: N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-2-methylsulfanyl-benzamide CAS Name: N-[3-[(3R,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propyl]-2-(methylthio)benzamide IUPAC Name: N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-2-methylsulfanylbenzamide Traditional Name: N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-2-(methylthio)benzamide Formula: C18H29N2OS+ MolecularWeight: 321.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCNC(=O)C2=CC=CC=C2SC)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CCCNC(=O)C2=CC=CC=C2SC)C

InChI

InChI=1S/C18H28N2OS/c1-14-11-15(2)13-20(12-14)10-6-9-19-18(21)16-7-4-5-8-17(16)22-3/h4-5,7-8,14-15H,6,9-13H2,1-3H3,(H,19,21)/p+1/t14-,15+