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

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)ethanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-(2-methoxyphenoxy)acetamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-(2-methoxyphenoxy)acetamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC=C2OC)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)COC2=CC=CC=C2OC)[NH+]3CCCCCC3

InChI

InChI=1S/C24H32N2O3/c1-19-11-13-20(14-12-19)21(26-15-7-3-4-8-16-26)17-25-24(27)18-29-23-10-6-5-9-22(23)28-2/h5-6,9-14,21H,3-4,7-8,15-18H2,1-2H3,(H,25,27)/p+1/t21-/m0/s1