2-(piperidin-1-ium-1-ylmethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: 2-(1-piperidin-1-iumylmethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: [2-(piperidin-1-ium-1-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]-[2-[4-(trifluoromethyl)phenyl]ethyl]amine Formula: C25H30F3N4S+ MolecularWeight: 475.59271

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC(=C3C4=C(CCCC4)SC3=N2)NCCC5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC(=C3C4=C(CCCC4)SC3=N2)NCCC5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C25H29F3N4S/c26-25(27,28)18-10-8-17(9-11-18)12-13-29-23-22-19-6-2-3-7-20(19)33-24(22)31-21(30-23)16-32-14-4-1-5-15-32/h8-11H,1-7,12-16H2,(H,29,30,31)/p+1