N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenoxy-acetamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-phenoxyacetamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-ylethyl]-2-phenoxyacetamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenoxy-acetamide Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CNC(=O)COC2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C25H34N2O2/c1-25(2,3)21-14-12-20(13-15-21)23(27-16-8-5-9-17-27)18-26-24(28)19-29-22-10-6-4-7-11-22/h4,6-7,10-15,23H,5,8-9,16-19H2,1-3H3,(H,26,28)/p+1/t23-/m0/s1