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

Systemtic Name: 3-(2-methoxyphenyl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(2-methoxyphenyl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(2-methoxyphenyl)-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(2-methoxyphenyl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(2-methoxyphenyl)-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H30NO4+ MolecularWeight: 384.4886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2C3C(=C(C(=CO3)C4=CC=CC=C4OC)O)CCC2=O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2C3C(=C(C(=CO3)C4=CC=CC=C4OC)O)CCC2=O

InChI

InChI=1S/C23H29NO4/c1-15-7-5-6-12-24(15)13-18-20(25)11-10-17-22(26)19(14-28-23(17)18)16-8-3-4-9-21(16)27-2/h3-4,8-9,14-15,18,23,26H,5-7,10-13H2,1-2H3/p+1/t15-,18?,23?/m0/s1