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

Systemtic Name: 3-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl]ammonium IUPAC Name: 3-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-6-8-17(23)15-9-10-18-16(13-15)22(12-7-11-21(4)5)20(24)19(25-18)14(2)3/h9-10,13-14,19H,6-8,11-12H2,1-5H3/p+1/t19-/m1/s1