3-(2-ethenyl-3-propyl-1,3-benzoxazol-3-ium-4-yl)-4-oxidanyl-N-phenyl-butanamide

Systemtic Name: 3-(2-ethenyl-3-propyl-1,3-benzoxazol-3-ium-4-yl)-4-oxidanyl-N-phenyl-butanamide Openeye Name: 4-hydroxy-N-phenyl-3-(3-propyl-2-vinyl-1,3-benzoxazol-3-ium-4-yl)butanamide CAS Name: 3-(2-ethenyl-3-propyl-1,3-benzoxazol-3-ium-4-yl)-4-hydroxy-N-phenylbutanamide IUPAC Name: 3-(2-ethenyl-3-propyl-1,3-benzoxazol-3-ium-4-yl)-4-hydroxy-N-phenylbutanamide Traditional Name: 4-hydroxy-N-phenyl-3-(3-propyl-2-vinyl-1,3-benzoxazol-3-ium-4-yl)butyramide Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(OC2=CC=CC(=C21)C(CC(=O)NC3=CC=CC=C3)CO)C=C

Isomeric SMILES

CCC[N+]1=C(OC2=CC=CC(=C21)C(CC(=O)NC3=CC=CC=C3)CO)C=C

InChI

InChI=1S/C22H24N2O3/c1-3-13-24-21(4-2)27-19-12-8-11-18(22(19)24)16(15-25)14-20(26)23-17-9-6-5-7-10-17/h4-12,16,25H,2-3,13-15H2,1H3/p+1