3-(6-bromanylindol-1-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(6-bromanylindol-1-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(6-bromoindol-1-yl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(6-bromo-1-indolyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(6-bromoindol-1-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(6-bromoindol-1-yl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C21H28BrN4O2+ MolecularWeight: 448.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCN3C=CC4=C3C=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCN3C=CC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H27BrN4O2/c22-18-4-3-17-5-9-24(19(17)15-18)10-6-20(27)26-13-11-23(12-14-26)16-21(28)25-7-1-2-8-25/h3-5,9,15H,1-2,6-8,10-14,16H2/p+1