methyl 4-[(1R)-2-(3-morpholin-4-ium-4-ylpropyl)-3,9-bis(oxidanylidene)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[(1R)-2-(3-morpholin-4-ium-4-ylpropyl)-3,9-bis(oxidanylidene)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[(1R)-2-(3-morpholin-4-ium-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate CAS Name: 4-[(1R)-2-[3-(4-morpholin-4-iumyl)propyl]-3,9-dioxo-1H-[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1R)-2-(3-morpholin-4-ium-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate Traditional Name: 4-[(1R)-3,9-diketo-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoic acid methyl ester Formula: C26H27N2O6+ MolecularWeight: 463.50238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2CCC[NH+]4CCOCC4)OC5=CC=CC=C5C3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@@H]2C3=C(C(=O)N2CCC[NH+]4CCOCC4)OC5=CC=CC=C5C3=O

InChI

InChI=1S/C26H26N2O6/c1-32-26(31)18-9-7-17(8-10-18)22-21-23(29)19-5-2-3-6-20(19)34-24(21)25(30)28(22)12-4-11-27-13-15-33-16-14-27/h2-3,5-10,22H,4,11-16H2,1H3/p+1/t22-/m1/s1