1-[7-(1-oxidanyl-3-pyrrolidin-1-yl-propyl)-9H-thioxanthen-2-yl]-3-pyrrolidin-1-yl-propan-1-ol

Systemtic Name: 1-[7-(1-oxidanyl-3-pyrrolidin-1-yl-propyl)-9H-thioxanthen-2-yl]-3-pyrrolidin-1-yl-propan-1-ol Openeye Name: 1-[7-(1-hydroxy-3-pyrrolidin-1-yl-propyl)-9H-thioxanthen-2-yl]-3-pyrrolidin-1-yl-propan-1-ol CAS Name: 1-[7-[1-hydroxy-3-(1-pyrrolidinyl)propyl]-9H-thioxanthen-2-yl]-3-(1-pyrrolidinyl)-1-propanol IUPAC Name: 1-[7-(1-hydroxy-3-pyrrolidin-1-ylpropyl)-9H-thioxanthen-2-yl]-3-pyrrolidin-1-ylpropan-1-ol Traditional Name: 1-[7-(1-hydroxy-3-pyrrolidino-propyl)-9H-thioxanthen-2-yl]-3-pyrrolidino-propan-1-ol Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(CCN5CCCC5)O)O

Isomeric SMILES

C1CCN(C1)CCC(C2=CC3=C(C=C2)SC4=C(C3)C=C(C=C4)C(CCN5CCCC5)O)O

InChI

InChI=1S/C27H36N2O2S/c30-24(9-15-28-11-1-2-12-28)20-5-7-26-22(17-20)19-23-18-21(6-8-27(23)32-26)25(31)10-16-29-13-3-4-14-29/h5-8,17-18,24-25,30-31H,1-4,9-16,19H2