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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2C3C(=C(C(=C(O3)C)C4=CC=C(C=C4)OC)O)CCC2=O

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2C3C(=C(C(=C(O3)C)C4=CC=C(C=C4)OC)O)CCC2=O

InChI

InChI=1S/C24H31NO4/c1-15-6-4-5-13-25(15)14-20-21(26)12-11-19-23(27)22(16(2)29-24(19)20)17-7-9-18(28-3)10-8-17/h7-10,15,20,24,27H,4-6,11-14H2,1-3H3/p+1/t15-,20?,24?/m1/s1