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

Systemtic Name: 2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-phenyl-chromen-7-olate CAS Name: 2-methyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3-phenylchromen-7-olate Traditional Name: 4-keto-2-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-phenyl-chromen-7-olate Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C)[O-]

InChI

InChI=1S/C23H25NO3/c1-15-10-12-24(13-11-15)14-19-20(25)9-8-18-22(26)21(16(2)27-23(18)19)17-6-4-3-5-7-17/h3-9,15,25H,10-14H2,1-2H3