N-(5-chloranyl-2-cyano-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22ClN4O2+ MolecularWeight: 385.86728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C20H21ClN4O2/c1-27-18-4-2-3-17(12-18)25-9-7-24(8-10-25)14-20(26)23-19-11-16(21)6-5-15(19)13-22/h2-6,11-12H,7-10,14H2,1H3,(H,23,26)/p+1