[(1R)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [(1R)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]-(3-propan-2-yloxypropyl)azanium Openeye Name: 3-isopropoxypropyl-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium CAS Name: [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-(3-propan-2-yloxypropyl)azanium Traditional Name: 3-isopropoxypropyl-[(1R)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]C(C)C1=CC2=C(C=C1)OCC(=O)N2

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CCCOC(C)C

InChI

InChI=1S/C16H24N2O3/c1-11(2)20-8-4-7-17-12(3)13-5-6-15-14(9-13)18-16(19)10-21-15/h5-6,9,11-12,17H,4,7-8,10H2,1-3H3,(H,18,19)/p+1/t12-/m1/s1