3-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-4-methyl-2-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-4-methyl-2-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 2-keto-3-(4-methoxyphenyl)-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23NO4/c1-14-17-9-10-19(24)18(13-23-11-3-4-12-23)21(17)27-22(25)20(14)15-5-7-16(26-2)8-6-15/h5-10,24H,3-4,11-13H2,1-2H3