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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CC=C)(C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CC=C)(C)C)[NH3+]

InChI

InChI=1S/C16H22N2O2/c1-5-9-18-13-10-11(12(17)6-2)7-8-14(13)20-16(3,4)15(18)19/h5,7-8,10,12H,1,6,9,17H2,2-4H3/p+1/t12-/m0/s1