3-(3,4-dimethoxyphenyl)-2-methyl-4-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-(1-pyrrolidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-(pyrrolidin-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:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCC3)O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCC3)O)C4=CC(=C(C=C4)OC)OC

InChI

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