(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylethanoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylethanoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholinoacetyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-[2-(4-morpholinyl)-1-oxoethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholinoacetyl)piperazin-1-ium-1-yl]propionamide Formula: C20H34N5O3+ MolecularWeight: 392.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)[NH+]2CCN(CC2)C(=O)CN3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)[NH+]2CCN(CC2)C(=O)CN3CCOCC3

InChI

InChI=1S/C20H33N5O3/c1-17(19(27)22-20(16-21)5-3-2-4-6-20)24-7-9-25(10-8-24)18(26)15-23-11-13-28-14-12-23/h17H,2-15H2,1H3,(H,22,27)/p+1/t17-/m0/s1