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

Systemtic Name: [(1S)-1-[(2S)-2-ethyl-4-hexyl-3-oxidanylidene-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2S)-2-ethyl-4-hexyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2S)-2-ethyl-4-hexyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2S)-2-ethyl-4-hexyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2S)-2-ethyl-4-hexyl-3-keto-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)C(C)[NH3+])OC(C1=O)CC

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[C@H](C)[NH3+])O[C@H](C1=O)CC

InChI

InChI=1S/C18H28N2O2/c1-4-6-7-8-11-20-15-12-14(13(3)19)9-10-17(15)22-16(5-2)18(20)21/h9-10,12-13,16H,4-8,11,19H2,1-3H3/p+1/t13-,16-/m0/s1