N-(4-bromophenyl)-2-[4-(3,3-dimethyl-2-oxidanylidene-butyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(3,3-dimethyl-2-oxidanylidene-butyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-(3,3-dimethyl-2-oxo-butyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-(3,3-dimethyl-2-oxobutyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(3,3-dimethyl-2-oxobutyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-(2-keto-3,3-dimethyl-butyl)piperazine-1,4-diium-1-yl]acetamide Formula: C18H28BrN3O2+2 MolecularWeight: 398.33782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrN3O2/c1-18(2,3)16(23)12-21-8-10-22(11-9-21)13-17(24)20-15-6-4-14(19)5-7-15/h4-7H,8-13H2,1-3H3,(H,20,24)/p+2