[(2S)-2-(4-chlorophenyl)-1-[3-(dimethylazaniumyl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate

Systemtic Name: [(2S)-2-(4-chlorophenyl)-1-[3-(dimethylazaniumyl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Openeye Name: [(2S)-2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate CAS Name: [(2S)-2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(3-methoxyphenyl)methanolate IUPAC Name: [(2S)-2-(4-chlorophenyl)-1-[3-(dimethylazaniumyl)propyl]-4,5-dioxopyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Traditional Name: [(2S)-2-(4-chlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-diketo-pyrrolidin-3-ylidene]-(3-methoxyphenyl)methanolate Formula: C23H25ClN2O4 MolecularWeight: 428.9086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O4/c1-25(2)12-5-13-26-20(15-8-10-17(24)11-9-15)19(22(28)23(26)29)21(27)16-6-4-7-18(14-16)30-3/h4,6-11,14,20,27H,5,12-13H2,1-3H3/t20-/m0/s1