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

Systemtic Name: 2-ethyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-oxidanyl-benzo[c]chromen-6-one Openeye Name: 2-ethyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxy-benzo[c]chromen-6-one CAS Name: 2-ethyl-4-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-3-hydroxy-6-benzo[c][1]benzopyranone IUPAC Name: 2-ethyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxybenzo[c]chromen-6-one Traditional Name: 2-ethyl-4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxy-benzo[c]chromen-6-one Formula: C23H28NO3+ MolecularWeight: 366.47332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H27NO3/c1-3-15-13-19-17-10-5-6-11-18(17)23(26)27-22(19)20(21(15)25)14-24-12-8-7-9-16(24)4-2/h5-6,10-11,13,16,25H,3-4,7-9,12,14H2,1-2H3/p+1/t16-/m1/s1