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

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one Formula: C24H32NO4+ MolecularWeight: 398.51518

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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)O)CCC2=O

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-15-10-12-25(13-11-15)14-20-21(26)9-8-19-23(27)22(16(2)29-24(19)20)17-4-6-18(28-3)7-5-17/h4-7,15,20,24,27H,8-14H2,1-3H3/p+1