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

Systemtic Name: 6-chloranyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 3-benzyl-6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-keto-4-methyl-chromen-7-olate Formula: C25H28ClNO3 MolecularWeight: 425.94772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2[O-])Cl)C(=C(C(=O)O3)CC4=CC=CC=C4)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C3C(=CC(=C2[O-])Cl)C(=C(C(=O)O3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H28ClNO3/c1-3-18-11-7-8-12-27(18)15-21-23(28)22(26)14-19-16(2)20(25(29)30-24(19)21)13-17-9-5-4-6-10-17/h4-6,9-10,14,18,28H,3,7-8,11-13,15H2,1-2H3/t18-/m0/s1