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

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-(4-bromophenoxy)acetamide Formula: C23H30BrN2O2+ MolecularWeight: 446.4005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O2/c1-18-6-8-19(9-7-18)22(26-14-4-2-3-5-15-26)16-25-23(27)17-28-21-12-10-20(24)11-13-21/h6-13,22H,2-5,14-17H2,1H3,(H,25,27)/p+1/t22-/m0/s1