(2S)-N-(2-ethyl-4-methyl-pyrazol-3-yl)-2-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-ethyl-4-methyl-pyrazol-3-yl)-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-ethyl-4-methyl-pyrazol-3-yl)-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(2-ethyl-4-methyl-3-pyrazolyl)-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-ethyl-4-methylpyrazol-3-yl)-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-ethyl-4-methyl-pyrazol-3-yl)-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C13H23N4O+ MolecularWeight: 251.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C)NC(=O)C(C)[NH+]2CCCC2

Isomeric SMILES

CCN1C(=C(C=N1)C)NC(=O)[C@H](C)[NH+]2CCCC2

InChI

InChI=1S/C13H22N4O/c1-4-17-12(10(2)9-14-17)15-13(18)11(3)16-7-5-6-8-16/h9,11H,4-8H2,1-3H3,(H,15,18)/p+1/t11-/m0/s1