6-chloranyl-3-ethyl-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-3-ethyl-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-3-ethyl-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-3-ethyl-4-methyl-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-ethyl-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-3-ethyl-2-keto-4-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-7-olate Formula: C19H24ClNO3 MolecularWeight: 349.85176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCCC(C3)C)[O-])Cl)C

Isomeric SMILES

CCC1=C(C2=CC(=C(C(=C2OC1=O)C[NH+]3CCC[C@@H](C3)C)[O-])Cl)C

InChI

InChI=1S/C19H24ClNO3/c1-4-13-12(3)14-8-16(20)17(22)15(18(14)24-19(13)23)10-21-7-5-6-11(2)9-21/h8,11,22H,4-7,9-10H2,1-3H3/t11-/m0/s1