(2S)-2-(azepan-1-ium-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide CAS Name: (2S)-2-(1-azepan-1-iumyl)-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C18H23N3O2/c1-14-13-16(20-23-14)19-18(22)17(15-9-5-4-6-10-15)21-11-7-2-3-8-12-21/h4-6,9-10,13,17H,2-3,7-8,11-12H2,1H3,(H,19,20,22)/p+1/t17-/m0/s1