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

Systemtic Name: 2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]ethyl]ammonium IUPAC Name: 2-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC[NH+](C)C)C(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC[NH+](C)C)C(C)C

InChI

InChI=1S/C19H28N2O3/c1-6-7-16(22)14-8-9-17-15(12-14)21(11-10-20(4)5)19(23)18(24-17)13(2)3/h8-9,12-13,18H,6-7,10-11H2,1-5H3/p+1/t18-/m1/s1