2-[4-(2-morpholin-4-ylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(2-morpholin-4-ylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(2-morpholinopyridine-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-(4-morpholinyl)-3-pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(2-morpholin-4-ylpyridine-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(2-morpholinonicotinoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCOCC4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCOCC4

InChI

InChI=1S/C20H29N5O3/c26-18(23-6-1-2-7-23)16-22-8-10-25(11-9-22)20(27)17-4-3-5-21-19(17)24-12-14-28-15-13-24/h3-5H,1-2,6-16H2/p+1