(3-chloranyl-4-ethoxy-phenyl)-[(2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(4-ethoxyphenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (3-chloranyl-4-ethoxy-phenyl)-[(2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(4-ethoxyphenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate Openeye Name: (3-chloro-4-ethoxy-phenyl)-[(2R)-1-[2-(dimethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (3-chloro-4-ethoxyphenyl)-[(2R)-1-[2-(dimethylammonio)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxo-3-pyrrolidinylidene]methanolate IUPAC Name: (3-chloro-4-ethoxyphenyl)-[(2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(4-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate Traditional Name: (3-chloro-4-ethoxy-phenyl)-[(2R)-1-[2-(dimethylammonio)ethyl]-4,5-diketo-2-p-phenetyl-pyrrolidin-3-ylidene]methanolate Formula: C25H29ClN2O5 MolecularWeight: 472.96116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC)Cl)[O-])C(=O)C(=O)N2CC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C(=C(C3=CC(=C(C=C3)OCC)Cl)[O-])C(=O)C(=O)N2CC[NH+](C)C

InChI

InChI=1S/C25H29ClN2O5/c1-5-32-18-10-7-16(8-11-18)22-21(24(30)25(31)28(22)14-13-27(3)4)23(29)17-9-12-20(33-6-2)19(26)15-17/h7-12,15,22,29H,5-6,13-14H2,1-4H3/t22-/m1/s1