methyl (E)-2-isoquinolin-2-ium-2-yl-3-methoxy-3-oxidanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-isoquinolin-2-ium-2-yl-3-methoxy-3-oxidanyl-prop-2-enoate Openeye Name: methyl (E)-3-hydroxy-2-isoquinolin-2-ium-2-yl-3-methoxy-prop-2-enoate CAS Name: (E)-3-hydroxy-2-(2-isoquinolin-2-iumyl)-3-methoxy-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-hydroxy-2-isoquinolin-2-ium-2-yl-3-methoxyprop-2-enoate Traditional Name: (E)-3-hydroxy-2-isoquinolin-2-ium-2-yl-3-methoxy-acrylic acid methyl ester Formula: C14H14NO4+ MolecularWeight: 260.26526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)OC)[N+]1=CC2=CC=CC=C2C=C1)O

Isomeric SMILES

CO/C(=C(\C(=O)OC)/[N+]1=CC2=CC=CC=C2C=C1)/O

InChI

InChI=1S/C14H13NO4/c1-18-13(16)12(14(17)19-2)15-8-7-10-5-3-4-6-11(10)9-15/h3-9H,1-2H3/p+1