2-(4-chloranyl-2-methyl-phenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]acetamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]acetamide Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)COC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[NH+]2CCOCC2)NC(=O)COC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H27ClN2O3/c1-16-3-5-18(6-4-16)20(14-25-9-11-27-12-10-25)24-22(26)15-28-21-8-7-19(23)13-17(21)2/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,24,26)/p+1/t20-/m1/s1