[(E)-2-[5-benzamido-3-[(1R)-1-oxidanylethyl]-6-oxidanylidene-pyran-2-yl]ethenyl]-dimethyl-azanium

Systemtic Name: [(E)-2-[5-benzamido-3-[(1R)-1-oxidanylethyl]-6-oxidanylidene-pyran-2-yl]ethenyl]-dimethyl-azanium Openeye Name: [(E)-2-[5-benzamido-3-[(1R)-1-hydroxyethyl]-6-oxo-pyran-2-yl]vinyl]-dimethyl-ammonium CAS Name: [(E)-2-[5-benzamido-3-[(1R)-1-hydroxyethyl]-6-oxo-2-pyranyl]ethenyl]-dimethylammonium IUPAC Name: [(E)-2-[5-benzamido-3-[(1R)-1-hydroxyethyl]-6-oxopyran-2-yl]ethenyl]-dimethylazanium Traditional Name: [(E)-2-[5-benzamido-3-[(1R)-1-hydroxyethyl]-6-keto-pyran-2-yl]vinyl]-dimethyl-ammonium Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)C=C[NH+](C)C)O

Isomeric SMILES

C[C@H](C1=C(OC(=O)C(=C1)NC(=O)C2=CC=CC=C2)/C=C/[NH+](C)C)O

InChI

InChI=1S/C18H20N2O4/c1-12(21)14-11-15(18(23)24-16(14)9-10-20(2)3)19-17(22)13-7-5-4-6-8-13/h4-12,21H,1-3H3,(H,19,22)/p+1/b10-9+/t12-/m1/s1