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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)C(COC)[NH3+])OC(C1=O)C

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)[C@@H](COC)[NH3+])O[C@H](C1=O)C

InChI

InChI=1S/C17H26N2O3/c1-4-5-6-9-19-15-10-13(14(18)11-21-3)7-8-16(15)22-12(2)17(19)20/h7-8,10,12,14H,4-6,9,11,18H2,1-3H3/p+1/t12-,14+/m0/s1