N-(2-chlorophenyl)-2-[4-(3-cyano-4,6-dimethyl-pyridin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(3-cyano-4,6-dimethyl-pyridin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(3-cyano-4,6-dimethyl-2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(3-cyano-4,6-dimethylpyridin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(3-cyano-4,6-dimethyl-2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C20H23ClN5O+ MolecularWeight: 384.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H22ClN5O/c1-14-11-15(2)23-20(16(14)12-22)26-9-7-25(8-10-26)13-19(27)24-18-6-4-3-5-17(18)21/h3-6,11H,7-10,13H2,1-2H3,(H,24,27)/p+1