2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-3-oxidanyl-benzo[c]chromen-6-one

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-3-oxidanyl-benzo[c]chromen-6-one Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxy-4-methyl-benzo[c]chromen-6-one CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-3-hydroxy-4-methyl-6-benzo[c][1]benzopyranone IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxy-4-methylbenzo[c]chromen-6-one Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxy-4-methyl-benzo[c]chromen-6-one Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)O

InChI

InChI=1S/C22H25NO3/c1-3-16-8-6-7-11-23(16)13-15-12-19-17-9-4-5-10-18(17)22(25)26-21(19)14(2)20(15)24/h4-5,9-10,12,16,24H,3,6-8,11,13H2,1-2H3/p+1/t16-/m0/s1