1-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-chloro-2,5-dimethoxy-anilino)-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-chloro-2,5-dimethoxy-anilino)-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C22H27ClN3O5+ MolecularWeight: 448.91988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)OC)Cl

InChI

InChI=1S/C22H26ClN3O5/c1-30-19-12-17(20(31-2)11-15(19)23)24-21(28)13-26-9-7-14(8-10-26)22(29)25-16-5-3-4-6-18(16)27/h3-6,11-12,14,27H,7-10,13H2,1-2H3,(H,24,28)(H,25,29)/p+1