N-(5-chloranyl-2-cyano-phenyl)-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[4-(4-hydroxyphenyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[4-(4-hydroxyphenyl)piperidin-1-ium-1-yl]acetamide Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=C(C=C2)O)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1C[NH+](CCC1C2=CC=C(C=C2)O)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C20H20ClN3O2/c21-17-4-1-16(12-22)19(11-17)23-20(26)13-24-9-7-15(8-10-24)14-2-5-18(25)6-3-14/h1-6,11,15,25H,7-10,13H2,(H,23,26)/p+1