6-chloranyl-8-[(dimethylazaniumyl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate

Systemtic Name: 6-chloranyl-8-[(dimethylazaniumyl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-6-chloro-8-[(dimethylammonio)methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-8-[(dimethylammonio)methyl]-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-6-chloro-8-[(dimethylazaniumyl)methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 3-benzyl-6-chloro-8-[(dimethylammonio)methyl]-2-keto-4-methyl-chromen-7-olate Formula: C20H20ClNO3 MolecularWeight: 357.8307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+](C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH+](C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO3/c1-12-14-10-17(21)18(23)16(11-22(2)3)19(14)25-20(24)15(12)9-13-7-5-4-6-8-13/h4-8,10,23H,9,11H2,1-3H3