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

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

CC1CCC[NH+](C1)CC2C3C(=C(C(=CO3)C4=CC=C(C=C4)OC)O)CCC2=O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2C3C(=C(C(=CO3)C4=CC=C(C=C4)OC)O)CCC2=O

InChI

InChI=1S/C23H29NO4/c1-15-4-3-11-24(12-15)13-19-21(25)10-9-18-22(26)20(14-28-23(18)19)16-5-7-17(27-2)8-6-16/h5-8,14-15,19,23,26H,3-4,9-13H2,1-2H3/p+1/t15-,19?,23?/m0/s1