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

Systemtic Name: N-(2-cyanophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(2-cyanophenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O2/c1-27-19-12-10-17(11-13-19)21-9-3-2-6-14-25(21)16-22(26)24-20-8-5-4-7-18(20)15-23/h4-5,7-8,10-13,21H,2-3,6,9,14,16H2,1H3,(H,24,26)/p+1/t21-/m1/s1