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

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

CC1CC[NH+](CC1)CC2=C(C=C(C3=C2OC(=O)C4=CC=CC=C43)C)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=C(C3=C2OC(=O)C4=CC=CC=C43)C)O

InChI

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