3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-8-(1-piperidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H28NO5+ MolecularWeight: 398.47212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2C3C(=C(C(=CO3)C4=CC5=C(C=C4)OCCO5)O)CCC2=O

Isomeric SMILES

C1CC[NH+](CC1)CC2C3C(=C(C(=CO3)C4=CC5=C(C=C4)OCCO5)O)CCC2=O

InChI

InChI=1S/C23H27NO5/c25-19-6-5-16-22(26)18(15-4-7-20-21(12-15)28-11-10-27-20)14-29-23(16)17(19)13-24-8-2-1-3-9-24/h4,7,12,14,17,23,26H,1-3,5-6,8-11,13H2/p+1