3-(4-chlorophenyl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(4-chlorophenyl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C22H23ClNO3+ MolecularWeight: 384.87592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H22ClNO3/c1-14-3-2-10-24(11-14)12-18-20(25)9-8-17-21(26)19(13-27-22(17)18)15-4-6-16(23)7-5-15/h4-9,13-14,25H,2-3,10-12H2,1H3/p+1/t14-/m1/s1