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

Systemtic Name: 3-[6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[6-[(2S)-2-chloro-1-oxopropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[6-[(2S)-2-chloropropanoyl]-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C18H26ClN2O3+ MolecularWeight: 353.86364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC[NH+](C)C)(C)C)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC[NH+](C)C)(C)C)Cl

InChI

InChI=1S/C18H25ClN2O3/c1-12(19)16(22)13-7-8-15-14(11-13)21(10-6-9-20(4)5)17(23)18(2,3)24-15/h7-8,11-12H,6,9-10H2,1-5H3/p+1/t12-/m0/s1