(2R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[(1-ethylpyrazol-4-yl)methyl]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[(1-ethyl-4-pyrazolyl)methyl]-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxamide Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)C2CCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)[C@H]2CCC[NH+]2CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O/c1-2-22-14-16(12-20-22)11-19-18(23)17-9-6-10-21(17)13-15-7-4-3-5-8-15/h3-5,7-8,12,14,17H,2,6,9-11,13H2,1H3,(H,19,23)/p+1/t17-/m1/s1