2-(3,5-dimethylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)C

InChI

InChI=1S/C23H30N2O2/c1-18-12-19(2)14-22(13-18)27-17-23(26)24-15-20-6-8-21(9-7-20)16-25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11,15-17H2,1-2H3,(H,24,26)/p+1