(E)-[3-methyl-4-(2-methylpropoxy)phenyl]-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-pyridin-3-yl-pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-[3-methyl-4-(2-methylpropoxy)phenyl]-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-pyridin-3-yl-pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(4-isobutoxy-3-methyl-phenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-[3-methyl-4-(2-methylpropoxy)phenyl]-[1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-2-(3-pyridinyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-[3-methyl-4-(2-methylpropoxy)phenyl]-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-isobutoxy-3-methyl-phenyl)methanolate Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CN=CC=C4)[O-])OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O5/c1-19(2)18-36-23-8-7-21(16-20(23)3)26(32)24-25(22-6-4-9-29-17-22)31(28(34)27(24)33)11-5-10-30-12-14-35-15-13-30/h4,6-9,16-17,19,25,32H,5,10-15,18H2,1-3H3/b26-24+