N-(3-bromanyl-4-methyl-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetamide Formula: C15H23BrN3O2+ MolecularWeight: 357.26602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CCO)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CCO)Br

InChI

InChI=1S/C15H22BrN3O2/c1-12-2-3-13(10-14(12)16)17-15(21)11-19-6-4-18(5-7-19)8-9-20/h2-3,10,20H,4-9,11H2,1H3,(H,17,21)/p+1