4-[(2R)-6-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butylazanium

Systemtic Name: 4-[(2R)-6-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butylazanium Openeye Name: 4-[(2R)-2-isopropyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]butylammonium CAS Name: 4-[(2R)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butylammonium IUPAC Name: 4-[(2R)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butylazanium Traditional Name: 4-[(2R)-2-isopropyl-3-keto-6-methyl-1,4-benzoxazin-4-yl]butylammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2CCCC[NH3+])C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@@H](C(=O)N2CCCC[NH3+])C(C)C

InChI

InChI=1S/C16H24N2O2/c1-11(2)15-16(19)18(9-5-4-8-17)13-10-12(3)6-7-14(13)20-15/h6-7,10-11,15H,4-5,8-9,17H2,1-3H3/p+1/t15-/m1/s1