N-methyl-N-[(1S)-2-[(3S)-3-oxidanylpyrrolidin-1-yl]-1-phenyl-ethyl]-9H-thioxanthene-9-carboxamide chloride

Systemtic Name: N-methyl-N-[(1S)-2-[(3S)-3-oxidanylpyrrolidin-1-yl]-1-phenyl-ethyl]-9H-thioxanthene-9-carboxamide chloride Openeye Name: N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenyl-ethyl]-N-methyl-9H-thioxanthene-9-carboxamide chloride CAS Name: N-[(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl]-N-methyl-9H-thioxanthene-9-carboxamide chloride IUPAC Name: N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-thioxanthene-9-carboxamide chloride Traditional Name: N-[(1S)-2-[(3S)-3-hydroxypyrrolidino]-1-phenyl-ethyl]-N-methyl-9H-thioxanthene-9-carboxamide chloride Formula: C27H28ClN2O2S- MolecularWeight: 480.04142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CN1CCC(C1)O)C2=CC=CC=C2)C(=O)C3C4=CC=CC=C4SC5=CC=CC=C35.[Cl-]

Isomeric SMILES

CN([C@H](CN1CC[C@@H](C1)O)C2=CC=CC=C2)C(=O)C3C4=CC=CC=C4SC5=CC=CC=C35.[Cl-]

InChI

InChI=1S/C27H28N2O2S.ClH/c1-28(23(19-9-3-2-4-10-19)18-29-16-15-20(30)17-29)27(31)26-21-11-5-7-13-24(21)32-25-14-8-6-12-22(25)26;/h2-14,20,23,26,30H,15-18H2,1H3;1H/p-1/t20-,23+;/m0./s1