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

Systemtic Name: [(1S)-1-[3-oxidanylidene-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[3-oxo-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[3-oxo-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-oxo-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(4-phenoxybutyl)-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CCCCOC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CCCCOC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C20H24N2O3/c1-15(21)16-9-10-19-18(13-16)22(20(23)14-25-19)11-5-6-12-24-17-7-3-2-4-8-17/h2-4,7-10,13,15H,5-6,11-12,14,21H2,1H3/p+1/t15-/m0/s1