(2S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-methyl-1-imidazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC2C(=O)NC3=CC=C(C=C3)N4C=CN=C4C

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CN=C4C

InChI

InChI=1S/C22H28N6O/c1-4-27-15-18(16(2)25-27)14-26-12-5-6-21(26)22(29)24-19-7-9-20(10-8-19)28-13-11-23-17(28)3/h7-11,13,15,21H,4-6,12,14H2,1-3H3,(H,24,29)/p+1/t21-/m0/s1