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

Systemtic Name: 3-[(2R)-6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-6-[(2S)-2-chloropropanoyl]-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-6-[(2S)-2-chloropropanoyl]-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-6-[(2S)-2-chloropropanoyl]-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C19H28ClN2O3+ MolecularWeight: 367.89022

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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)CCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O3/c1-12(2)18-19(24)22(10-6-9-21(4)5)15-11-14(17(23)13(3)20)7-8-16(15)25-18/h7-8,11-13,18H,6,9-10H2,1-5H3/p+1/t13-,18+/m0/s1