3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-8-[[[4-(4-methylpiperidin-1-yl)phenyl]azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-8-[[[4-(4-methylpiperidin-1-yl)phenyl]azaniumyl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-methoxy-2-oxo-ethyl)-4-methyl-8-[[[4-(4-methyl-1-piperidyl)phenyl]ammonio]methyl]-2-oxo-chromen-7-olate CAS Name: 3-(2-methoxy-2-oxoethyl)-4-methyl-8-[[[4-(4-methyl-1-piperidinyl)phenyl]ammonio]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxy-2-oxoethyl)-4-methyl-8-[[[4-(4-methylpiperidin-1-yl)phenyl]azaniumyl]methyl]-2-oxochromen-7-olate Traditional Name: 2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-8-[[[4-(4-methylpiperidino)phenyl]ammonio]methyl]chromen-7-olate Formula: C26H30N2O5 MolecularWeight: 450.5268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)[NH2+]CC3=C(C=CC4=C3OC(=O)C(=C4C)CC(=O)OC)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)[NH2+]CC3=C(C=CC4=C3OC(=O)C(=C4C)CC(=O)OC)[O-]

InChI

InChI=1S/C26H30N2O5/c1-16-10-12-28(13-11-16)19-6-4-18(5-7-19)27-15-22-23(29)9-8-20-17(2)21(14-24(30)32-3)26(31)33-25(20)22/h4-9,16,27,29H,10-15H2,1-3H3