3-(2-methoxy-2-oxidanylidene-ethyl)-4,8-dimethyl-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(2-methoxy-2-oxidanylidene-ethyl)-4,8-dimethyl-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(2-methoxy-2-oxo-ethyl)-4,8-dimethyl-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 2-keto-3-(2-keto-2-methoxy-ethyl)-4,8-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH+]3CCCC3)[O-])C)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH+]3CCCC3)[O-])C)CC(=O)OC

InChI

InChI=1S/C19H23NO5/c1-11-14-8-13(10-20-6-4-5-7-20)17(22)12(2)18(14)25-19(23)15(11)9-16(21)24-3/h8,22H,4-7,9-10H2,1-3H3