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

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

CCOC1=CC=CC=C1OC2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCC(CC4)C

Isomeric SMILES

CCOC1=CC=CC=C1OC2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCC(CC4)C

InChI

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