3-(3,4-dimethoxyphenyl)-4-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-8-(1-piperidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H30NO5+ MolecularWeight: 400.488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCCCC4)OC

InChI

InChI=1S/C23H29NO5/c1-27-20-9-6-15(12-21(20)28-2)18-14-29-23-16(22(18)26)7-8-19(25)17(23)13-24-10-4-3-5-11-24/h6,9,12,14,17,23,26H,3-5,7-8,10-11,13H2,1-2H3/p+1