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

Systemtic Name: 3-(3,5-dimethylphenoxy)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(3,5-dimethylphenoxy)-4-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Formula: C24H32NO4+ MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2C3C(=C(C(=CO3)OC4=CC(=CC(=C4)C)C)O)CCC2=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2C3C(=C(C(=CO3)OC4=CC(=CC(=C4)C)C)O)CCC2=O

InChI

InChI=1S/C24H31NO4/c1-15-6-8-25(9-7-15)13-20-21(26)5-4-19-23(27)22(14-28-24(19)20)29-18-11-16(2)10-17(3)12-18/h10-12,14-15,20,24,27H,4-9,13H2,1-3H3/p+1