3-(4-chlorophenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(4-chlorophenyl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(4-chlorophenyl)-4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(4-chlorophenyl)-4-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(4-chlorophenyl)-4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(4-chlorophenyl)-4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H27ClNO3+ MolecularWeight: 388.90768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2C3C(=C(C(=CO3)C4=CC=C(C=C4)Cl)O)CCC2=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2C3C(=C(C(=CO3)C4=CC=C(C=C4)Cl)O)CCC2=O

InChI

InChI=1S/C22H26ClNO3/c1-14-8-10-24(11-9-14)12-18-20(25)7-6-17-21(26)19(13-27-22(17)18)15-2-4-16(23)5-3-15/h2-5,13-14,18,22,26H,6-12H2,1H3/p+1