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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-3-keto-4-(3-phenylpropyl)-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-3-18(23)17-12-13-21-19(15-17)24(22(25)20(4-2)26-21)14-8-11-16-9-6-5-7-10-16/h5-7,9-10,12-13,15,18,20H,3-4,8,11,14,23H2,1-2H3/p+1/t18-,20+/m0/s1