(3-chloranyl-4-ethoxy-phenyl)-[(2S)-1-[3-(diethylazaniumyl)propyl]-4,5-bis(oxidanylidene)-2-pyridin-4-yl-pyrrolidin-3-ylidene]methanolate

Systemtic Name: (3-chloranyl-4-ethoxy-phenyl)-[(2S)-1-[3-(diethylazaniumyl)propyl]-4,5-bis(oxidanylidene)-2-pyridin-4-yl-pyrrolidin-3-ylidene]methanolate Openeye Name: (3-chloro-4-ethoxy-phenyl)-[(2S)-1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]methanolate CAS Name: (3-chloro-4-ethoxyphenyl)-[(2S)-1-[3-(diethylammonio)propyl]-4,5-dioxo-2-pyridin-4-yl-3-pyrrolidinylidene]methanolate IUPAC Name: (3-chloro-4-ethoxyphenyl)-[(2S)-1-[3-(diethylazaniumyl)propyl]-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]methanolate Traditional Name: (3-chloro-4-ethoxy-phenyl)-[(2S)-1-[3-(diethylammonio)propyl]-4,5-diketo-2-(4-pyridyl)pyrrolidin-3-ylidene]methanolate Formula: C25H30ClN3O4 MolecularWeight: 471.9764

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OCC)Cl)[O-])C(=O)C1=O)C3=CC=NC=C3

Isomeric SMILES

CC[NH+](CC)CCCN1[C@H](C(=C(C2=CC(=C(C=C2)OCC)Cl)[O-])C(=O)C1=O)C3=CC=NC=C3

InChI

InChI=1S/C25H30ClN3O4/c1-4-28(5-2)14-7-15-29-22(17-10-12-27-13-11-17)21(24(31)25(29)32)23(30)18-8-9-20(33-6-3)19(26)16-18/h8-13,16,22,30H,4-7,14-15H2,1-3H3/t22-/m0/s1