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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Formula: C25H34NO5+ MolecularWeight: 428.54116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2C3C(=C(C(=C(O3)C)C4=CC(=C(C=C4)OC)OC)O)CCC2=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2C3C(=C(C(=C(O3)C)C4=CC(=C(C=C4)OC)OC)O)CCC2=O

InChI

InChI=1S/C25H33NO5/c1-15-9-11-26(12-10-15)14-19-20(27)7-6-18-24(28)23(16(2)31-25(18)19)17-5-8-21(29-3)22(13-17)30-4/h5,8,13,15,19,25,28H,6-7,9-12,14H2,1-4H3/p+1