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

Systemtic Name: 2-[(2R)-6-[(1R)-1-azaniumyl-2-methyl-propyl]-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-6-[(1R)-1-azaniumyl-2-methyl-propyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-6-[(1R)-1-ammonio-2-methylpropyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-6-[(1R)-1-azaniumyl-2-methylpropyl]-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-6-[(1R)-1-ammonio-2-methyl-propyl]-2-ethyl-3-keto-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C18H31N3O2+2 MolecularWeight: 321.45764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(C(C)C)[NH3+])CC[NH+](C)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@@H](C(C)C)[NH3+])CC[NH+](C)C

InChI

InChI=1S/C18H29N3O2/c1-6-15-18(22)21(10-9-20(4)5)14-11-13(17(19)12(2)3)7-8-16(14)23-15/h7-8,11-12,15,17H,6,9-10,19H2,1-5H3/p+2/t15-,17-/m1/s1