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

Systemtic Name: 3-(2-methoxyphenoxy)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(2-methoxyphenoxy)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(2-methoxyphenoxy)-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(2-methoxyphenoxy)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(2-methoxyphenoxy)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H30NO5+ MolecularWeight: 400.488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2C3C(=C(C(=CO3)OC4=CC=CC=C4OC)O)CCC2=O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2C3C(=C(C(=CO3)OC4=CC=CC=C4OC)O)CCC2=O

InChI

InChI=1S/C23H29NO5/c1-15-7-5-6-12-24(15)13-17-18(25)11-10-16-22(26)21(14-28-23(16)17)29-20-9-4-3-8-19(20)27-2/h3-4,8-9,14-15,17,23,26H,5-7,10-13H2,1-2H3/p+1/t15-,17?,23?/m0/s1