(E)-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-pyridin-4-yl-pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-pyridin-4-yl-pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-2-pyridin-4-yl-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(5-carbomethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-[4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-(4-pyridyl)pyrrolidin-3-ylidene]methanolate Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=NC=C4)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=NC=C4)/[O-])C)C(=O)OC

InChI

InChI=1S/C25H30N4O6/c1-15-18(16(2)27-20(15)25(33)34-3)22(30)19-21(17-5-7-26-8-6-17)29(24(32)23(19)31)10-4-9-28-11-13-35-14-12-28/h5-8,21,27,30H,4,9-14H2,1-3H3/b22-19+