[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] (2S)-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] (2S)-pyrrolidin-1-ium-2-carboxylate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl] (2S)-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-2-pyrrolidin-1-iumcarboxylic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] (2S)-pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-pyrrolidin-1-ium-2-carboxylic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C24H24NO6+ MolecularWeight: 422.45046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3CCC[NH2+]3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@@H]3CCC[NH2+]3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H23NO6/c1-14-22(15-5-8-19-21(12-15)29-11-3-10-28-19)23(26)17-7-6-16(13-20(17)30-14)31-24(27)18-4-2-9-25-18/h5-8,12-13,18,25H,2-4,9-11H2,1H3/p+1/t18-/m0/s1