N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-methyl-ethanamide

Systemtic Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-methyl-ethanamide Openeye Name: N-[[5-(4-bromophenyl)-2-furyl]methyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[[5-(4-bromophenyl)-2-furanyl]methyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-[[5-(4-bromophenyl)-2-furyl]methyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Br)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Br)C(=O)C[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H26BrN3O3/c1-24(14-19-8-9-20(29-19)16-4-6-18(23)7-5-16)21(27)15-25-10-12-26(13-11-25)22(28)17-2-3-17/h4-9,17H,2-3,10-15H2,1H3/p+1