N-(4-bromophenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]acetamide Formula: C17H21BrN3O2+ MolecularWeight: 379.27154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Br)CC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Br)CC3=CC=CO3

InChI

InChI=1S/C17H20BrN3O2/c18-14-3-5-15(6-4-14)19-17(22)13-21-9-7-20(8-10-21)12-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2,(H,19,22)/p+1