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

Systemtic Name: [(1S)-1-(2,2-dimethyl-3-oxidanylidene-4-phenethyl-1,4-benzoxazin-6-yl)propyl]azanium Openeye Name: [(1S)-1-(2,2-dimethyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl)propyl]ammonium CAS Name: [(1S)-1-(2,2-dimethyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl)propyl]ammonium IUPAC Name: [(1S)-1-(2,2-dimethyl-3-oxo-4-phenethyl-1,4-benzoxazin-6-yl)propyl]azanium Traditional Name: [(1S)-1-(3-keto-2,2-dimethyl-4-phenethyl-1,4-benzoxazin-6-yl)propyl]ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-4-17(22)16-10-11-19-18(14-16)23(20(24)21(2,3)25-19)13-12-15-8-6-5-7-9-15/h5-11,14,17H,4,12-13,22H2,1-3H3/p+1/t17-/m0/s1