(2R)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-benzyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(2-methyl-1-imidazolyl)phenyl]-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-benzyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-benzyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CCC[NH+]3CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+]3CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c1-17-23-13-15-26(17)20-11-9-19(10-12-20)24-22(27)21-8-5-14-25(21)16-18-6-3-2-4-7-18/h2-4,6-7,9-13,15,21H,5,8,14,16H2,1H3,(H,24,27)/p+1/t21-/m1/s1