2-[4-(4-bromophenyl)carbonylpiperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)carbonylpiperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-(4-bromobenzoyl)piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[(4-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-(4-bromobenzoyl)piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-(4-bromobenzoyl)piperazin-1-ium-1-yl]-N-butyl-acetamide Formula: C17H25BrN3O2+ MolecularWeight: 383.3033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O2/c1-2-3-8-19-16(22)13-20-9-11-21(12-10-20)17(23)14-4-6-15(18)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,19,22)/p+1