[(1S)-1-[4-[(4-tert-butylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-[(4-tert-butylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[4-[(4-tert-butylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[4-[(4-tert-butylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-[(4-tert-butylphenyl)methyl]-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[4-(4-tert-butylbenzyl)-3-keto-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)OCC(=O)N2CC3=CC=C(C=C3)C(C)(C)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(C)(C)C)[NH3+]

InChI

InChI=1S/C21H26N2O2/c1-14(22)16-7-10-19-18(11-16)23(20(24)13-25-19)12-15-5-8-17(9-6-15)21(2,3)4/h5-11,14H,12-13,22H2,1-4H3/p+1/t14-/m0/s1