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

Systemtic Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4,7-dimethyl-2-oxidanyl-6,7,8,8a-tetrahydrochromen-5-one Openeye Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-hydroxy-4,7-dimethyl-6,7,8,8a-tetrahydrochromen-5-one CAS Name: 6-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-hydroxy-4,7-dimethyl-6,7,8,8a-tetrahydro-1-benzopyran-5-one IUPAC Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-hydroxy-4,7-dimethyl-6,7,8,8a-tetrahydrochromen-5-one Traditional Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-hydroxy-4,7-dimethyl-6,7,8,8a-tetrahydrochromen-5-one Formula: C19H30NO3+ MolecularWeight: 320.4464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3/c1-4-14-7-5-6-8-20(14)11-15-12(2)9-16-18(19(15)22)13(3)10-17(21)23-16/h10,12,14-16,21H,4-9,11H2,1-3H3/p+1/t12?,14-,15?,16?/m0/s1