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

Systemtic Name: 3-[(2R)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-6-acetyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-6-acetyl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)CCC[NH+](C)C

InChI

InChI=1S/C18H26N2O3/c1-12(2)17-18(22)20(10-6-9-19(4)5)15-11-14(13(3)21)7-8-16(15)23-17/h7-8,11-12,17H,6,9-10H2,1-5H3/p+1/t17-/m1/s1