(E)-(4-chlorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(4-chlorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(4-chlorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(4-chlorophenyl)-[1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-chlorophenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(4-chlorophenyl)-[4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-propoxyphenyl)pyrrolidin-3-ylidene]methanolate Formula: C27H31ClN2O5 MolecularWeight: 498.99844

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)Cl)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\[O-])/C(=O)C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C27H31ClN2O5/c1-2-15-35-22-6-3-5-20(18-22)24-23(25(31)19-7-9-21(28)10-8-19)26(32)27(33)30(24)12-4-11-29-13-16-34-17-14-29/h3,5-10,18,24,31H,2,4,11-17H2,1H3/b25-23+