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

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-(phenylmethyl)-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-4-benzyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2/c1-12(19)15-8-9-17-16(10-15)20(18(21)13(2)22-17)11-14-6-4-3-5-7-14/h3-10,12-13H,11,19H2,1-2H3/p+1/t12-,13+/m0/s1