N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-methylsulfanyl-propanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-methylsulfanyl-propanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-3-methylsulfanyl-propanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-3-(methylthio)propanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-methylsulfanylpropanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-3-(methylthio)propionamide Formula: C19H29N2OS+ MolecularWeight: 333.51136

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCSC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCSC

InChI

InChI=1S/C19H28N2OS/c1-20(19(22)9-11-23-2)17-8-5-10-21(14-17)18-12-15-6-3-4-7-16(15)13-18/h3-4,6-7,17-18H,5,8-14H2,1-2H3/p+1/t17-/m0/s1