4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Systemtic Name: 4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one Openeye Name: 3-hydroxy-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one CAS Name: 3-hydroxy-4-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one IUPAC Name: 3-hydroxy-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one Traditional Name: 3-hydroxy-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C(=C3C(=C2)C4=C(CCCC4)C(=O)O3)C)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C(=C3C(=C2)C4=C(CCCC4)C(=O)O3)C)O

InChI

InChI=1S/C21H27NO3/c1-13-7-9-22(10-8-13)12-15-11-18-16-5-3-4-6-17(16)21(24)25-20(18)14(2)19(15)23/h11,13,23H,3-10,12H2,1-2H3/p+1