3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-[6-(methylthio)-3,4-dihydro-1H-isoquinolin-2-yl]-1-propanone IUPAC Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-[6-(methylthio)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one Formula: C19H29N2OS+ MolecularWeight: 333.51136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N2CCC3=C(C2)C=CC(=C3)SC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N2CCC3=C(C2)C=CC(=C3)SC

InChI

InChI=1S/C19H28N2OS/c1-15-4-3-9-20(13-15)10-8-19(22)21-11-7-16-12-18(23-2)6-5-17(16)14-21/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3/p+1/t15-/m0/s1