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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazin-6-yl]ethyl]azanium Openeye Name: [(1S)-1-[(2R)-4-benzyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-(phenylmethyl)-1,4-benzoxazin-6-yl]ethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-4-benzyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]ethyl]azanium Traditional Name: [(1S)-1-[(2R)-4-benzyl-2-ethyl-3-keto-1,4-benzoxazin-6-yl]ethyl]ammonium Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2/c1-3-17-19(22)21(12-14-7-5-4-6-8-14)16-11-15(13(2)20)9-10-18(16)23-17/h4-11,13,17H,3,12,20H2,1-2H3/p+1/t13-,17+/m0/s1