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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C(C)Cl)CC[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC[NH+](C)C)C(C)C)Cl

InChI

InChI=1S/C18H25ClN2O3/c1-11(2)17-18(23)21(9-8-20(4)5)14-10-13(16(22)12(3)19)6-7-15(14)24-17/h6-7,10-12,17H,8-9H2,1-5H3/p+1/t12-,17+/m0/s1