2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[(2S)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCCCC[C@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H25N3O3/c1-14-12-18(21-25-14)20-19(23)13-22-11-5-3-4-6-17(22)15-7-9-16(24-2)10-8-15/h7-10,12,17H,3-6,11,13H2,1-2H3,(H,20,21,23)/p+1/t17-/m0/s1