3-(2-methoxy-2-oxidanylidene-ethyl)-4,8-dimethyl-2-oxidanylidene-6-[(pyridin-4-ylmethylazaniumyl)methyl]chromen-7-olate

Systemtic Name: 3-(2-methoxy-2-oxidanylidene-ethyl)-4,8-dimethyl-2-oxidanylidene-6-[(pyridin-4-ylmethylazaniumyl)methyl]chromen-7-olate Openeye Name: 3-(2-methoxy-2-oxo-ethyl)-4,8-dimethyl-2-oxo-6-[(4-pyridylmethylammonio)methyl]chromen-7-olate CAS Name: 3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-6-[(pyridin-4-ylmethylammonio)methyl]-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-6-[(pyridin-4-ylmethylazaniumyl)methyl]chromen-7-olate Traditional Name: 2-keto-3-(2-keto-2-methoxy-ethyl)-4,8-dimethyl-6-[(4-pyridylmethylammonio)methyl]chromen-7-olate Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]CC3=CC=NC=C3)[O-])C)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]CC3=CC=NC=C3)[O-])C)CC(=O)OC

InChI

InChI=1S/C21H22N2O5/c1-12-16-8-15(11-23-10-14-4-6-22-7-5-14)19(25)13(2)20(16)28-21(26)17(12)9-18(24)27-3/h4-8,23,25H,9-11H2,1-3H3