2-(2-chloranyl-5-methyl-phenoxy)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-chloranyl-5-methyl-phenoxy)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-chloro-5-methyl-phenoxy)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-chloro-5-methylphenoxy)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-chloro-5-methylphenoxy)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-chloro-5-methyl-phenoxy)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C22H27ClN2O2/c1-17-9-10-20(23)21(13-17)27-16-22(26)24-14-18-7-3-4-8-19(18)15-25-11-5-2-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14-16H2,1H3,(H,24,26)/p+1