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

Systemtic Name: 3-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propyl]ammonium IUPAC Name: 3-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]propyl-dimethyl-ammonium Formula: C18H27N2O3+ MolecularWeight: 319.41858

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-5-7-16(21)14-8-9-17-15(12-14)20(11-6-10-19(3)4)18(22)13(2)23-17/h8-9,12-13H,5-7,10-11H2,1-4H3/p+1/t13-/m1/s1