(2S)-1-(1H-imidazol-5-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(1H-imidazol-5-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-(1H-imidazol-5-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-(1H-imidazol-5-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-(1H-imidazol-5-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(1H-imidazol-5-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c1-28-20-5-2-4-17(12-20)16-7-9-18(10-8-16)25-22(27)21-6-3-11-26(21)14-19-13-23-15-24-19/h2,4-5,7-10,12-13,15,21H,3,6,11,14H2,1H3,(H,23,24)(H,25,27)/p+1/t21-/m0/s1