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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-4-allyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-4-allyl-2-ethyl-3-keto-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C16H23N2O2+ MolecularWeight: 275.36602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2/c1-4-9-18-13-10-11(12(17)5-2)7-8-15(13)20-14(6-3)16(18)19/h4,7-8,10,12,14H,1,5-6,9,17H2,2-3H3/p+1/t12-,14+/m0/s1