N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(3-methylsulfanylphenyl)methyl]propanamide

Systemtic Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(3-methylsulfanylphenyl)methyl]propanamide Openeye Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(3-methylsulfanylphenyl)methyl]propanamide CAS Name: N-methyl-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[[3-(methylthio)phenyl]methyl]propanamide IUPAC Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(3-methylsulfanylphenyl)methyl]propanamide Traditional Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[3-(methylthio)benzyl]propionamide Formula: C18H29N2OS+ MolecularWeight: 321.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N(C)CC2=CC(=CC=C2)SC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N(C)CC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H28N2OS/c1-15-6-5-10-20(13-15)11-9-18(21)19(2)14-16-7-4-8-17(12-16)22-3/h4,7-8,12,15H,5-6,9-11,13-14H2,1-3H3/p+1/t15-/m0/s1