N-(2-bromophenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-bromophenyl)-2-[4-(2,4-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-bromophenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromophenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25BrN3O+ MolecularWeight: 403.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Br)C

InChI

InChI=1S/C20H24BrN3O/c1-15-7-8-19(16(2)13-15)24-11-9-23(10-12-24)14-20(25)22-18-6-4-3-5-17(18)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1