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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-isobutyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-4-isobutyl-3-keto-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-5-15-17(20)19(9-11(2)3)14-8-12(13(18)10-21-4)6-7-16(14)22-15/h6-8,11,13,15H,5,9-10,18H2,1-4H3/p+1/t13-,15-/m1/s1