2-(3,4-dihydro-1H-isochromen-7-ylmethyl)-6-methoxy-1-methyl-2-phenyl-1-(trifluoromethyl)piperidin-1-ium-3-amine

Systemtic Name: 2-(3,4-dihydro-1H-isochromen-7-ylmethyl)-6-methoxy-1-methyl-2-phenyl-1-(trifluoromethyl)piperidin-1-ium-3-amine Openeye Name: 2-(isochroman-7-ylmethyl)-6-methoxy-1-methyl-2-phenyl-1-(trifluoromethyl)piperidin-1-ium-3-amine CAS Name: 2-(3,4-dihydro-1H-2-benzopyran-7-ylmethyl)-6-methoxy-1-methyl-2-phenyl-1-(trifluoromethyl)-3-piperidin-1-iumamine IUPAC Name: 2-(3,4-dihydro-1H-isochromen-7-ylmethyl)-6-methoxy-1-methyl-2-phenyl-1-(trifluoromethyl)piperidin-1-ium-3-amine Traditional Name: [2-(isochroman-7-ylmethyl)-6-methoxy-1-methyl-2-phenyl-1-(trifluoromethyl)piperidin-1-ium-3-yl]amine Formula: C24H30F3N2O2+ MolecularWeight: 435.50241

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(CCC(C1(CC2=CC3=C(CCOC3)C=C2)C4=CC=CC=C4)N)OC)C(F)(F)F

Isomeric SMILES

C[N+]1(C(CCC(C1(CC2=CC3=C(CCOC3)C=C2)C4=CC=CC=C4)N)OC)C(F)(F)F

InChI

InChI=1S/C24H30F3N2O2/c1-29(24(25,26)27)22(30-2)11-10-21(28)23(29,20-6-4-3-5-7-20)15-17-8-9-18-12-13-31-16-19(18)14-17/h3-9,14,21-22H,10-13,15-16,28H2,1-2H3/q+1