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

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-phenethyl-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-2-methyl-4-phenethyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C19H23N2O2+ MolecularWeight: 311.39812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CCC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O2/c1-13(20)16-8-9-18-17(12-16)21(19(22)14(2)23-18)11-10-15-6-4-3-5-7-15/h3-9,12-14H,10-11,20H2,1-2H3/p+1/t13-,14+/m0/s1