2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-6-methyl-phenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2-chloro-6-methylphenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-6-methyl-phenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]acetamide Formula: C21H25BrClN2O3+ MolecularWeight: 468.7918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)Cl)Br

InChI

InChI=1S/C21H24BrClN2O3/c1-15-10-18(22)11-19(23)21(15)28-14-20(26)24-12-16-2-4-17(5-3-16)13-25-6-8-27-9-7-25/h2-5,10-11H,6-9,12-14H2,1H3,(H,24,26)/p+1