2-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-methyl-6-oxidanylidene-benzo[c]chromen-3-olate

Systemtic Name: 2-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-methyl-6-oxidanylidene-benzo[c]chromen-3-olate Openeye Name: 2-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-methyl-6-oxo-benzo[c]chromen-3-olate CAS Name: 2-[(2-ethyl-1-piperidin-1-iumyl)methyl]-4-methyl-6-oxo-3-benzo[c][1]benzopyranolate IUPAC Name: 2-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-methyl-6-oxobenzo[c]chromen-3-olate Traditional Name: 2-[(2-ethylpiperidin-1-ium-1-yl)methyl]-6-keto-4-methyl-benzo[c]chromen-3-olate Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)[O-]

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)[O-]

InChI

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