N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide

Systemtic Name: N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(5-phenyloxazol-2-yl)benzamide CAS Name: N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-(5-phenyl-2-oxazolyl)benzamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(5-phenyloxazol-2-yl)benzamide Formula: C27H26N3O2+ MolecularWeight: 424.51424

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC=CC=C2C3=NC=C(O3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=CC=CC=C2C3=NC=C(O3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2/c31-26(29-22-15-16-30(19-22)18-20-9-3-1-4-10-20)23-13-7-8-14-24(23)27-28-17-25(32-27)21-11-5-2-6-12-21/h1-14,17,22H,15-16,18-19H2,(H,29,31)/p+1/t22-/m1/s1