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

Systemtic Name: 4-bromanyl-N-[3-oxidanylidene-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]benzamide Openeye Name: 4-bromo-N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]benzamide CAS Name: 4-bromo-N-[3-oxo-3-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]propyl]benzamide IUPAC Name: 4-bromo-N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]benzamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H26BrN3O3/c23-19-8-6-18(7-9-19)22(28)24-11-10-21(27)26-14-12-25(13-15-26)16-17-29-20-4-2-1-3-5-20/h1-9H,10-17H2,(H,24,28)/p+1