N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-(3-methylphenoxy)acetamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC(=C2)C)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)COC2=CC=CC(=C2)C)[NH+]3CCCCCC3

InChI

InChI=1S/C24H32N2O2/c1-19-10-12-21(13-11-19)23(26-14-5-3-4-6-15-26)17-25-24(27)18-28-22-9-7-8-20(2)16-22/h7-13,16,23H,3-6,14-15,17-18H2,1-2H3,(H,25,27)/p+1/t23-/m0/s1