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

Systemtic Name: (E)-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-pyridin-3-yl-pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-2-(3-pyridinyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-[4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-pyridyl)pyrrolidin-3-ylidene]methanolate Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CN=CC=C4)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CN=CC=C4)/[O-])C

InChI

InChI=1S/C26H32N4O6/c1-4-36-26(34)21-16(2)19(17(3)28-21)23(31)20-22(18-7-5-8-27-15-18)30(25(33)24(20)32)10-6-9-29-11-13-35-14-12-29/h5,7-8,15,22,28,31H,4,6,9-14H2,1-3H3/b23-20+