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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/c1-15-5-3-4-12-24(15)13-19-21(25)11-10-18-22(26)20(14-28-23(18)19)16-6-8-17(27-2)9-7-16/h6-9,14-15,19,23,26H,3-5,10-13H2,1-2H3/p+1/t15-,19?,23?/m0/s1