2-(3,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H26N4O2/c1-15-10-16(2)12-18(11-15)26-14-20(25)22-17-4-5-19(21-13-17)24-8-6-23(3)7-9-24/h4-5,10-13H,6-9,14H2,1-3H3,(H,22,25)/p+1