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

Systemtic Name: 2-ethyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanyl-benzo[c]chromen-6-one Openeye Name: 2-ethyl-3-hydroxy-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzo[c]chromen-6-one CAS Name: 2-ethyl-3-hydroxy-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-6-benzo[c][1]benzopyranone IUPAC Name: 2-ethyl-3-hydroxy-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzo[c]chromen-6-one Traditional Name: 2-ethyl-3-hydroxy-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzo[c]chromen-6-one Formula: C22H26NO3+ MolecularWeight: 352.44674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C3=CC=CC=C3C(=O)O2)C[NH+]4CCC(CC4)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C3=CC=CC=C3C(=O)O2)C[NH+]4CCC(CC4)C)O

InChI

InChI=1S/C22H25NO3/c1-3-15-12-18-16-6-4-5-7-17(16)22(25)26-21(18)19(20(15)24)13-23-10-8-14(2)9-11-23/h4-7,12,14,24H,3,8-11,13H2,1-2H3/p+1