4-bromanyl-N-[3-oxidanylidene-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-oxidanylidene-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propyl]benzamide Openeye Name: 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propyl]benzamide CAS Name: 4-bromo-N-[3-oxo-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethylamino]propyl]benzamide IUPAC Name: 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethylamino]propyl]benzamide Formula: C22H28BrN4O2+ MolecularWeight: 460.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O2/c23-19-8-6-18(7-9-19)22(29)25-11-10-21(28)24-12-13-26-14-16-27(17-15-26)20-4-2-1-3-5-20/h1-9H,10-17H2,(H,24,28)(H,25,29)/p+1