methyl (E)-3-(4-bromanyl-3-cyclopropyl-isoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl (E)-3-(4-bromanyl-3-cyclopropyl-isoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-3-(4-bromo-3-cyclopropyl-isoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-3-(4-bromo-3-cyclopropyl-2-isoquinolin-2-iumyl)-4-hydroxy-4-methoxy-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-bromo-3-cyclopropylisoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-3-(4-bromo-3-cyclopropyl-isoquinolin-2-ium-2-yl)-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C18H17BrNO5+ MolecularWeight: 407.23528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)C(=O)OC)[N+]1=CC2=CC=CC=C2C(=C1C3CC3)Br)O

Isomeric SMILES

CO/C(=C(\C(=O)C(=O)OC)/[N+]1=CC2=CC=CC=C2C(=C1C3CC3)Br)/O

InChI

InChI=1S/C18H16BrNO5/c1-24-17(22)15(16(21)18(23)25-2)20-9-11-5-3-4-6-12(11)13(19)14(20)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3/p+1