N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-ethoxy-benzamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-ethoxy-benzamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-ethoxy-benzamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-ethoxybenzamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-ethoxybenzamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-ethoxy-benzamide Formula: C25H35N2O2+ MolecularWeight: 395.5576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCCC3

InChI

InChI=1S/C25H34N2O2/c1-5-29-22-14-10-20(11-15-22)24(28)26-18-23(27-16-6-7-17-27)19-8-12-21(13-9-19)25(2,3)4/h8-15,23H,5-7,16-18H2,1-4H3,(H,26,28)/p+1/t23-/m0/s1