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

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-phenethyl-acetamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-27-21-13-11-20(12-14-21)22-10-6-3-7-17-25(22)18-23(26)24-16-15-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22H,3,6-7,10,15-18H2,1H3,(H,24,26)/p+1/t22-/m1/s1