N-(4-bromophenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(4-bromophenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-bromophenyl)propanamide CAS Name: N-(4-bromophenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-bromophenyl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-bromophenyl)propionamide Formula: C20H26BrN3O+2 MolecularWeight: 404.34394

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC(=O)NC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC(=O)NC2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H24BrN3O/c21-18-6-8-19(9-7-18)22-20(25)10-11-23-12-14-24(15-13-23)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,25)/p+2