2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C18H24BrN3OS+2 MolecularWeight: 410.37166

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Br)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Br)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H22BrN3OS/c19-17-7-6-16(24-17)13-21-8-10-22(11-9-21)14-18(23)20-12-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,20,23)/p+2