N-aminocarbonyl-3-[3-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-phenyl]propanenitrilium

Systemtic Name: N-aminocarbonyl-3-[3-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-phenyl]propanenitrilium Openeye Name: 3-(3-tert-butoxy-2-hydroxy-phenyl)-N-carbamoyl-propanenitrilium CAS Name: N-carbamoyl-3-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]phenyl]propanenitrilium IUPAC Name: N-carbamoyl-3-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]phenyl]propanenitrilium Traditional Name: 3-(3-tert-butoxy-2-hydroxy-phenyl)-N-carbamoyl-propiononitrilium Formula: C14H19N2O3+ MolecularWeight: 263.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=CC(=C1O)CCC#[N+]C(=O)N

Isomeric SMILES

CC(C)(C)OC1=CC=CC(=C1O)CCC#[N+]C(=O)N

InChI

InChI=1S/C14H18N2O3/c1-14(2,3)19-11-8-4-6-10(12(11)17)7-5-9-16-13(15)18/h4,6,8H,5,7H2,1-3H3,(H2-,15,17,18)/p+1