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

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(4-methoxyphenyl)-2-methyl-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(4-methoxyphenyl)-2-methyl-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 4-keto-3-(4-methoxyphenyl)-2-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)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC3)C4=CC=C(C=C4)OC

InChI

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