N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(2,4,6-trimethylphenoxy)ethanamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(2,4,6-trimethylphenoxy)ethanamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(2,4,6-trimethylphenoxy)acetamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-(2,4,6-trimethylphenoxy)acetamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(2,4,6-trimethylphenoxy)acetamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-(2,4,6-trimethylphenoxy)acetamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)C

InChI

InChI=1S/C23H30N2O2/c1-17-12-18(2)23(19(3)13-17)27-16-22(26)24-14-20-8-4-5-9-21(20)15-25-10-6-7-11-25/h4-5,8-9,12-13H,6-7,10-11,14-16H2,1-3H3,(H,24,26)/p+1