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

Systemtic Name: [(1S)-1-[3-oxidanylidene-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-oxo-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[3-keto-4-(3-phenoxypropyl)-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-14(20)15-8-9-18-17(12-15)21(19(22)13-24-18)10-5-11-23-16-6-3-2-4-7-16/h2-4,6-9,12,14H,5,10-11,13,20H2,1H3/p+1/t14-/m0/s1