N-[1,4-bis(oxidanylidene)-3-piperazin-1-ium-1-yl-naphthalen-2-yl]-N-(4-bromophenyl)ethanamide

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-piperazin-1-ium-1-yl-naphthalen-2-yl]-N-(4-bromophenyl)ethanamide Openeye Name: N-(4-bromophenyl)-N-(1,4-dioxo-3-piperazin-1-ium-1-yl-2-naphthyl)acetamide CAS Name: N-(4-bromophenyl)-N-[1,4-dioxo-3-(1-piperazin-1-iumyl)-2-naphthalenyl]acetamide IUPAC Name: N-(4-bromophenyl)-N-(1,4-dioxo-3-piperazin-1-ium-1-ylnaphthalen-2-yl)acetamide Traditional Name: N-(4-bromophenyl)-N-(1,4-diketo-3-piperazin-1-ium-1-yl-2-naphthyl)acetamide Formula: C22H21BrN3O3+ MolecularWeight: 455.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)Br)C2=C(C(=O)C3=CC=CC=C3C2=O)[NH+]4CCNCC4

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)Br)C2=C(C(=O)C3=CC=CC=C3C2=O)[NH+]4CCNCC4

InChI

InChI=1S/C22H20BrN3O3/c1-14(27)26(16-8-6-15(23)7-9-16)20-19(25-12-10-24-11-13-25)21(28)17-4-2-3-5-18(17)22(20)29/h2-9,24H,10-13H2,1H3/p+1