2-[4-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[2-(3-bromoanilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[2-(3-bromoanilino)-2-oxoethyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-[2-(3-bromoanilino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-[2-(3-bromoanilino)-2-keto-ethyl]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)CC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=CC(=CC=C2)Br

InChI

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