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

Systemtic Name: 4-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanyl-benzo[c]chromen-6-one Openeye Name: 3-hydroxy-4-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzo[c]chromen-6-one CAS Name: 3-hydroxy-4-methyl-2-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-6-benzo[c][1]benzopyranone IUPAC Name: 3-hydroxy-4-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzo[c]chromen-6-one Traditional Name: 3-hydroxy-4-methyl-2-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzo[c]chromen-6-one Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)O

InChI

InChI=1S/C21H23NO3/c1-13-6-5-9-22(11-13)12-15-10-18-16-7-3-4-8-17(16)21(24)25-20(18)14(2)19(15)23/h3-4,7-8,10,13,23H,5-6,9,11-12H2,1-2H3/p+1/t13-/m1/s1