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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium Openeye Name: [(1S)-1-[(2R)-4-allyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]-2-methoxyethyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]-2-methoxyethyl]azanium Traditional Name: [(1S)-1-[(2R)-4-allyl-2-ethyl-3-keto-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-4-8-18-13-9-11(12(17)10-20-3)6-7-15(13)21-14(5-2)16(18)19/h4,6-7,9,12,14H,1,5,8,10,17H2,2-3H3/p+1/t12-,14-/m1/s1