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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2C3C(=C(C(=CO3)C4=CC=CC=C4OC)O)CCC2=O

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-3-16-8-6-7-13-25(16)14-19-21(26)12-11-18-23(27)20(15-29-24(18)19)17-9-4-5-10-22(17)28-2/h4-5,9-10,15-16,19,24,27H,3,6-8,11-14H2,1-2H3/p+1/t16-,19?,24?/m0/s1