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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C(COC)[NH3+])OC(C1=O)(C)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)[C@@H](COC)[NH3+])OC(C1=O)(C)C

InChI

InChI=1S/C17H26N2O3/c1-5-6-9-19-14-10-12(13(18)11-21-4)7-8-15(14)22-17(2,3)16(19)20/h7-8,10,13H,5-6,9,11,18H2,1-4H3/p+1/t13-/m1/s1