2-[4-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(5-bromanyl-2-prop-2-ynoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(5-bromo-2-prop-2-ynoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(5-bromo-2-propargyloxy-benzyl)piperazine-1,4-diium-1-yl]-1-pyrrolidino-ethanone Formula: C20H28BrN3O2+2 MolecularWeight: 422.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H26BrN3O2/c1-2-13-26-19-6-5-18(21)14-17(19)15-22-9-11-23(12-10-22)16-20(25)24-7-3-4-8-24/h1,5-6,14H,3-4,7-13,15-16H2/p+2