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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-isobutyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-4-isobutyl-3-keto-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-5-13(18)12-7-8-16-14(9-12)19(10-11(3)4)17(20)15(6-2)21-16/h7-9,11,13,15H,5-6,10,18H2,1-4H3/p+1/t13-,15+/m0/s1