[2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate

Systemtic Name: [2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [2-(3-methoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4

InChI

InChI=1S/C23H25N3O5/c1-30-18-4-2-3-17(15-18)20-19(21(27)16-5-7-24-8-6-16)22(28)23(29)26(20)10-9-25-11-13-31-14-12-25/h2-8,15,20,27H,9-14H2,1H3