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

Systemtic Name: methyl 2-[4-methyl-7-oxidanyl-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]ethanoate Openeye Name: methyl 2-[7-hydroxy-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]acetate CAS Name: 2-[7-hydroxy-4-methyl-2-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-hydroxy-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]acetate Traditional Name: 2-[7-hydroxy-2-keto-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-3-yl]acetic acid methyl ester Formula: C18H22NO5+ MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)CC(=O)OC

InChI

InChI=1S/C18H21NO5/c1-11-12-5-6-15(20)14(10-19-7-3-4-8-19)17(12)24-18(22)13(11)9-16(21)23-2/h5-6,20H,3-4,7-10H2,1-2H3/p+1