[(1S)-1-[3-oxidanylidene-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]propyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCC(=O)N2CCCOC3=CC=CC=C3)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CCCOC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C20H24N2O3/c1-2-17(21)15-9-10-19-18(13-15)22(20(23)14-25-19)11-6-12-24-16-7-4-3-5-8-16/h3-5,7-10,13,17H,2,6,11-12,14,21H2,1H3/p+1/t17-/m0/s1