methyl 2-[4,8-dimethyl-7-oxidanyl-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]ethanoate

Systemtic Name: methyl 2-[4,8-dimethyl-7-oxidanyl-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]ethanoate Openeye Name: methyl 2-[7-hydroxy-4,8-dimethyl-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]acetate CAS Name: 2-[7-hydroxy-4,8-dimethyl-2-oxo-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-hydroxy-4,8-dimethyl-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]acetate Traditional Name: 2-[7-hydroxy-2-keto-4,8-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]acetic acid methyl ester Formula: C19H24NO5+ MolecularWeight: 346.39756

Click to see the large picture

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/p+1