[(1S)-1-[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[2,2-dimethyl-4-(2-methylallyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[2,2-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[3-keto-2,2-dimethyl-4-(2-methylallyl)-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CC(=C)C)(C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CC(=C)C)(C)C)[NH3+]

InChI

InChI=1S/C17H24N2O2/c1-6-13(18)12-7-8-15-14(9-12)19(10-11(2)3)16(20)17(4,5)21-15/h7-9,13H,2,6,10,18H2,1,3-5H3/p+1/t13-/m0/s1