3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one CAS Name: 3-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one Formula: C20H31N2O2S+ MolecularWeight: 363.53734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCOCC3

InChI

InChI=1S/C20H30N2O2S/c1-25-19-5-2-18(3-6-19)16-21-10-8-17(9-11-21)4-7-20(23)22-12-14-24-15-13-22/h2-3,5-6,17H,4,7-16H2,1H3/p+1