8-chloranyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate

Systemtic Name: 8-chloranyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Openeye Name: 8-chloro-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate CAS Name: 8-chloro-6-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-olate IUPAC Name: 8-chloro-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Traditional Name: 8-chloro-4-keto-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Formula: C19H22ClNO3 MolecularWeight: 347.83588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCC4)C(=O)O3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCC4)C(=O)O3

InChI

InChI=1S/C19H22ClNO3/c1-11-4-3-7-21(9-11)10-15-17(22)16(20)8-14-12-5-2-6-13(12)19(23)24-18(14)15/h8,11,22H,2-7,9-10H2,1H3/t11-/m0/s1