N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxy-ethanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxy-acetamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxy-acetamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC=C2)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)COC2=CC=CC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C23H30N2O3/c1-27-20-13-11-19(12-14-20)22(25-15-7-2-3-8-16-25)17-24-23(26)18-28-21-9-5-4-6-10-21/h4-6,9-14,22H,2-3,7-8,15-18H2,1H3,(H,24,26)/p+1/t22-/m0/s1