1-[5-[2-chloranyl-5-(trifluoromethyl)phenyl]furan-2-yl]-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone

Systemtic Name: 1-[5-[2-chloranyl-5-(trifluoromethyl)phenyl]furan-2-yl]-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone Openeye Name: 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone CAS Name: 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furanyl]-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone IUPAC Name: 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]ethanone Traditional Name: 1-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-2-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl]ethanone Formula: C25H22ClF3NO5+ MolecularWeight: 508.89409

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC3=C(C(=C2C1CC(=O)C4=CC=C(O4)C5=C(C=CC(=C5)C(F)(F)F)Cl)OC)OCO3

Isomeric SMILES

C[NH+]1CCC2=CC3=C(C(=C2[C@@H]1CC(=O)C4=CC=C(O4)C5=C(C=CC(=C5)C(F)(F)F)Cl)OC)OCO3

InChI

InChI=1S/C25H21ClF3NO5/c1-30-8-7-13-9-21-23(34-12-33-21)24(32-2)22(13)17(30)11-18(31)20-6-5-19(35-20)15-10-14(25(27,28)29)3-4-16(15)26/h3-6,9-10,17H,7-8,11-12H2,1-2H3/p+1/t17-/m0/s1