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

Systemtic Name: [(1S)-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-(4-pyridylmethyl)ammonium CAS Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-1-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-(4-pyridylmethyl)ammonium Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CC3=CC=NC=C3

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2)[NH2+]CC3=CC=NC=C3

InChI

InChI=1S/C16H17N3O2/c1-11(18-9-12-4-6-17-7-5-12)13-2-3-15-14(8-13)19-16(20)10-21-15/h2-8,11,18H,9-10H2,1H3,(H,19,20)/p+1/t11-/m0/s1