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

Systemtic Name: N-[2-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-phenyl-ethanediamide Openeye Name: N-[2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide CAS Name: N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-phenyloxamide IUPAC Name: N-[2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyloxamide Traditional Name: N-[2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-phenyl-oxamide Formula: C21H24ClN4O3+ MolecularWeight: 415.89326

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3/c22-17-8-6-16(7-9-17)21(29)26-14-12-25(13-15-26)11-10-23-19(27)20(28)24-18-4-2-1-3-5-18/h1-9H,10-15H2,(H,23,27)(H,24,28)/p+1