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

Systemtic Name: 2-chloranyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Openeye Name: 2-chloro-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate CAS Name: 2-chloro-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-olate IUPAC Name: 2-chloro-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Traditional Name: 2-chloro-6-keto-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Formula: C20H24ClNO3 MolecularWeight: 361.86246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClNO3/c1-12-6-8-22(9-7-12)11-16-18(23)17(21)10-15-13-4-2-3-5-14(13)20(24)25-19(15)16/h10,12,23H,2-9,11H2,1H3