[(1S)-1-(2,2-dimethyl-3-oxidanylidene-4-phenethyl-1,4-benzoxazin-6-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(2,2-dimethyl-3-oxidanylidene-4-phenethyl-1,4-benzoxazin-6-yl)ethyl]azanium Openeye Name: [(1S)-1-(2,2-dimethyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl)ethyl]ammonium CAS Name: [(1S)-1-(2,2-dimethyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(2,2-dimethyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl)ethyl]azanium Traditional Name: [(1S)-1-(3-keto-2,2-dimethyl-4-phenethyl-1,4-benzoxazin-6-yl)ethyl]ammonium Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(C(=O)N2CCC3=CC=CC=C3)(C)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CCC3=CC=CC=C3)(C)C)[NH3+]

InChI

InChI=1S/C20H24N2O2/c1-14(21)16-9-10-18-17(13-16)22(19(23)20(2,3)24-18)12-11-15-7-5-4-6-8-15/h4-10,13-14H,11-12,21H2,1-3H3/p+1/t14-/m0/s1