1-(4-fluorophenyl)-4-(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride

Systemtic Name: 1-(4-fluorophenyl)-4-(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride Openeye Name: 1-(4-fluorophenyl)-4-(4-methyl-1,2,3,4-tetrahydrobenzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride CAS Name: 1-(4-fluorophenyl)-4-(4-methyl-1,2,3,4-tetrahydrobenzofuro[3,2-c]pyridin-2-ium-2-yl)-1-butanone chloride IUPAC Name: 1-(4-fluorophenyl)-4-(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride Traditional Name: 1-(4-fluorophenyl)-4-(4-methyl-1,2,3,4-tetrahydrobenzofuro[3,2-c]pyridin-2-ium-2-yl)butan-1-one chloride Formula: C22H23ClFNO2 MolecularWeight: 387.874923

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C1OC3=CC=CC=C23)CCCC(=O)C4=CC=C(C=C4)F.[Cl-]

Isomeric SMILES

CC1C[NH+](CC2=C1OC3=CC=CC=C23)CCCC(=O)C4=CC=C(C=C4)F.[Cl-]

InChI

InChI=1S/C22H22FNO2.ClH/c1-15-13-24(12-4-6-20(25)16-8-10-17(23)11-9-16)14-19-18-5-2-3-7-21(18)26-22(15)19;/h2-3,5,7-11,15H,4,6,12-14H2,1H3;1H