(2R)-1-(1H-imidazol-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(1H-imidazol-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(1H-imidazol-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-(1H-imidazol-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-(1H-imidazol-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(1H-imidazol-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+]3CC4=NC=CN4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+]3CC4=NC=CN4

InChI

InChI=1S/C22H24N4O2/c1-28-19-5-2-4-17(14-19)16-7-9-18(10-8-16)25-22(27)20-6-3-13-26(20)15-21-23-11-12-24-21/h2,4-5,7-12,14,20H,3,6,13,15H2,1H3,(H,23,24)(H,25,27)/p+1/t20-/m1/s1