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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[3-(p-tolyl)isoxazol-5-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[3-(4-methylphenyl)-5-isoxazolyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[3-(p-tolyl)isoxazol-5-yl]acetamide Formula: C18H24N3O2+ MolecularWeight: 314.40206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C18H23N3O2/c1-14-6-8-15(9-7-14)16-12-18(23-20-16)19-17(22)13-21-10-4-2-3-5-11-21/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,22)/p+1