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

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

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CCCC3=CC=CC=C3

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)[NH3+])CCCC3=CC=CC=C3

InChI

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