N-[2-[4-(3-bromophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-phenyl-ethanediamide

Systemtic Name: N-[2-[4-(3-bromophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-[(3-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N-[2-[4-(3-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide Formula: C21H24BrN4O3+ MolecularWeight: 460.34426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C(=O)NC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C(=O)NC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrN4O3/c22-17-6-4-5-16(15-17)21(29)26-13-11-25(12-14-26)10-9-23-19(27)20(28)24-18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,23,27)(H,24,28)/p+1