2-[4-[2-[(4-bromophenyl)amino]ethanoyl]piperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[2-[(4-bromophenyl)amino]ethanoyl]piperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[2-(4-bromoanilino)acetyl]piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[2-(4-bromoanilino)-1-oxoethyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-[2-(4-bromoanilino)acetyl]piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-[2-(4-bromoanilino)acetyl]piperazin-1-ium-1-yl]-N-butyl-acetamide Formula: C18H28BrN4O2+ MolecularWeight: 412.34452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CNC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CNC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H27BrN4O2/c1-2-3-8-20-17(24)14-22-9-11-23(12-10-22)18(25)13-21-16-6-4-15(19)5-7-16/h4-7,21H,2-3,8-14H2,1H3,(H,20,24)/p+1