(7-methoxy-2-thiophen-3-yl-quinolin-3-yl)methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: (7-methoxy-2-thiophen-3-yl-quinolin-3-yl)methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: [7-methoxy-2-(3-thienyl)-3-quinolyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: [7-methoxy-2-(3-thiophenyl)-3-quinolinyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: [7-methoxy-2-(3-thienyl)-3-quinolyl]methyl-[4-(trifluoromethyl)benzyl]ammonium Formula: C23H20F3N2OS+ MolecularWeight: 429.47791

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C[NH2+]CC3=CC=C(C=C3)C(F)(F)F)C4=CSC=C4

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C[NH2+]CC3=CC=C(C=C3)C(F)(F)F)C4=CSC=C4

InChI

InChI=1S/C23H19F3N2OS/c1-29-20-7-4-16-10-18(22(28-21(16)11-20)17-8-9-30-14-17)13-27-12-15-2-5-19(6-3-15)23(24,25)26/h2-11,14,27H,12-13H2,1H3/p+1