2-(4-chloranylphenoxy)-N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenyl-ethanamide; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-(4-chloranylphenoxy)-N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenyl-ethanamide; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-(4-chlorophenoxy)-N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenyl-acetamide; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-(4-chlorophenoxy)-N-(1-methyl-3-pyrrolidin-1-iumyl)-N-phenylacetamide; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-(4-chlorophenoxy)-N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenylacetamide; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-(4-chlorophenoxy)-N-(1-methylpyrrolidin-1-ium-3-yl)-N-phenyl-acetamide; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C23H25ClN2O6 MolecularWeight: 460.9074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C1)N(C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Cl.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+]1CCC(C1)N(C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Cl.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H21ClN2O2.C4H4O4/c1-21-12-11-17(13-21)22(16-5-3-2-4-6-16)19(23)14-24-18-9-7-15(20)8-10-18;5-3(6)1-2-4(7)8/h2-10,17H,11-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-