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

Systemtic Name: 3-[6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[6-[(2S)-2-chloropropanoyl]-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C16H22ClN2O3+ MolecularWeight: 325.81048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O3/c1-11(17)16(21)12-5-6-14-13(9-12)19(15(20)10-22-14)8-4-7-18(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3/p+1/t11-/m0/s1