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

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]acetamide Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C23H26ClN3O2/c1-29-21-8-4-17(5-9-21)2-3-18-10-12-27(13-11-18)16-23(28)26-22-14-20(24)7-6-19(22)15-25/h4-9,14,18H,2-3,10-13,16H2,1H3,(H,26,28)/p+1