3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanyl-8-(pyrrolidin-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-(pyrrolidin-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-(pyrrolidin-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-pyrrolidin-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-(pyrrolidin-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-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2C3C(=C(C(=CO3)C4=CC5=C(C=C4)OCCO5)O)CCC2=O

Isomeric SMILES

C1CC[NH+](C1)CC2C3C(=C(C(=CO3)C4=CC5=C(C=C4)OCCO5)O)CCC2=O

InChI

InChI=1S/C22H25NO5/c24-18-5-4-15-21(25)17(14-3-6-19-20(11-14)27-10-9-26-19)13-28-22(15)16(18)12-23-7-1-2-8-23/h3,6,11,13,16,22,25H,1-2,4-5,7-10,12H2/p+1