3-(2-methoxyphenoxy)-2-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(2-methoxyphenoxy)-2-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-5,6,8,8a-tetrahydrochromen-7-one Formula: C24H32NO5+ MolecularWeight: 414.51458

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2C3C(=C(C(=C(O3)C)OC4=CC=CC=C4OC)O)CCC2=O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2C3C(=C(C(=C(O3)C)OC4=CC=CC=C4OC)O)CCC2=O

InChI

InChI=1S/C24H31NO5/c1-15-7-6-12-25(13-15)14-18-19(26)11-10-17-22(27)23(16(2)29-24(17)18)30-21-9-5-4-8-20(21)28-3/h4-5,8-9,15,18,24,27H,6-7,10-14H2,1-3H3/p+1/t15-,18?,24?/m1/s1