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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(C(=O)N2CCCC3=CC=CC=C3)(C)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CCCC3=CC=CC=C3)(C)C)[NH3+]

InChI

InChI=1S/C21H26N2O2/c1-15(22)17-11-12-19-18(14-17)23(20(24)21(2,3)25-19)13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,7,10,13,22H2,1-3H3/p+1/t15-/m0/s1