(2S)-2-[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2S)-2-[4-(2-cyclopentyl-1-oxoethyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propionamide Formula: C16H29N4O3+ MolecularWeight: 325.42646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)[NH+]1CCN(CC1)C(=O)CC2CCCC2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)[NH+]1CCN(CC1)C(=O)CC2CCCC2

InChI

InChI=1S/C16H28N4O3/c1-12(15(22)18-16(23)17-2)19-7-9-20(10-8-19)14(21)11-13-5-3-4-6-13/h12-13H,3-11H2,1-2H3,(H2,17,18,22,23)/p+1/t12-/m0/s1