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

Systemtic Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-methyl-2-oxidanyl-4-phenyl-6,7,8,8a-tetrahydrochromen-5-one Openeye Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-hydroxy-7-methyl-4-phenyl-6,7,8,8a-tetrahydrochromen-5-one CAS Name: 6-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-hydroxy-7-methyl-4-phenyl-6,7,8,8a-tetrahydro-1-benzopyran-5-one IUPAC Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-hydroxy-7-methyl-4-phenyl-6,7,8,8a-tetrahydrochromen-5-one Traditional Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-hydroxy-7-methyl-4-phenyl-6,7,8,8a-tetrahydrochromen-5-one Formula: C24H32NO3+ MolecularWeight: 382.51578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2C(CC3C(=C(C=C(O3)O)C4=CC=CC=C4)C2=O)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2C(CC3C(=C(C=C(O3)O)C4=CC=CC=C4)C2=O)C

InChI

InChI=1S/C24H31NO3/c1-3-18-11-7-8-12-25(18)15-20-16(2)13-21-23(24(20)27)19(14-22(26)28-21)17-9-5-4-6-10-17/h4-6,9-10,14,16,18,20-21,26H,3,7-8,11-13,15H2,1-2H3/p+1/t16?,18-,20?,21?/m0/s1