N-(2-bromanyl-4-methyl-phenyl)-2-[4-(4-chlorophenyl)carbonylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(4-chlorophenyl)carbonylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide Formula: C21H23BrClN2O2+ MolecularWeight: 450.77652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C21H22BrClN2O2/c1-14-2-7-19(18(22)12-14)24-20(26)13-25-10-8-16(9-11-25)21(27)15-3-5-17(23)6-4-15/h2-7,12,16H,8-11,13H2,1H3,(H,24,26)/p+1