N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3R)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3R)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3R)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NOC=C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NOC=C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c27-23(21-10-8-20(9-11-21)19-6-2-1-3-7-19)24-15-18-5-4-13-26(16-18)17-22-12-14-28-25-22/h1-3,6-12,14,18H,4-5,13,15-17H2,(H,24,27)/p+1/t18-/m1/s1