[(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazin-6-yl]propyl]azanium

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-4-benzyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(phenylmethyl)-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-4-benzyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-4-benzyl-2-ethyl-3-keto-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(CC)[NH3+])CC3=CC=CC=C3

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](CC)[NH3+])CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-3-16(21)15-10-11-19-17(12-15)22(20(23)18(4-2)24-19)13-14-8-6-5-7-9-14/h5-12,16,18H,3-4,13,21H2,1-2H3/p+1/t16-,18+/m0/s1