2-[4-[2-(5-bromanylindol-1-yl)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(5-bromanylindol-1-yl)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(5-bromoindol-1-yl)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-(5-bromo-1-indolyl)-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(5-bromoindol-1-yl)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(5-bromoindol-1-yl)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H26BrN4O2+ MolecularWeight: 434.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CN3C=CC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CN3C=CC4=C3C=CC(=C4)Br

InChI

InChI=1S/C20H25BrN4O2/c21-17-3-4-18-16(13-17)5-8-25(18)15-20(27)24-11-9-22(10-12-24)14-19(26)23-6-1-2-7-23/h3-5,8,13H,1-2,6-7,9-12,14-15H2/p+1