2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: N-[3-(2-ketopyrrolidino)phenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3=CC=CC(=C3)N4CCCC4=O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC3=CC=CC(=C3)N4CCCC4=O

InChI

InChI=1S/C25H31N3O3/c1-31-22-13-11-19(12-14-22)23-9-3-2-4-15-27(23)18-24(29)26-20-7-5-8-21(17-20)28-16-6-10-25(28)30/h5,7-8,11-14,17,23H,2-4,6,9-10,15-16,18H2,1H3,(H,26,29)/p+1/t23-/m1/s1