[(1S)-1-[(2R)-2-ethyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-isopentyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-4-isoamyl-3-keto-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-5-15-17(20)19(9-8-11(2)3)14-10-13(12(4)18)6-7-16(14)21-15/h6-7,10-12,15H,5,8-9,18H2,1-4H3/p+1/t12-,15+/m0/s1