(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one

Systemtic Name: (3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-(m-tolylmethyl)-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one CAS Name: (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-(4-thiomorpholin-4-iumylmethyl)-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-(thiomorpholin-4-ium-4-ylmethyl)piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-(3-methylbenzyl)-3-(thiomorpholin-4-ium-4-ylmethyl)-2-piperidone Formula: C18H27N2O2S+ MolecularWeight: 335.48418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH+]3CCSCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH+]3CCSCC3)O

InChI

InChI=1S/C18H26N2O2S/c1-15-4-2-5-16(12-15)13-20-7-3-6-18(22,17(20)21)14-19-8-10-23-11-9-19/h2,4-5,12,22H,3,6-11,13-14H2,1H3/p+1/t18-/m0/s1