(2R)-2-isoquinolin-2-ium-2-ylbutanedioic acid

Systemtic Name: (2R)-2-isoquinolin-2-ium-2-ylbutanedioic acid Openeye Name: (2R)-2-isoquinolin-2-ium-2-ylbutanedioic acid CAS Name: (2R)-2-(2-isoquinolin-2-iumyl)butanedioic acid IUPAC Name: (2R)-2-isoquinolin-2-ium-2-ylbutanedioic acid Traditional Name: (2R)-2-isoquinolin-2-ium-2-ylsuccinic acid Formula: C13H12NO4+ MolecularWeight: 246.23868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)[C@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C13H11NO4/c15-12(16)7-11(13(17)18)14-6-5-9-3-1-2-4-10(9)8-14/h1-6,8,11H,7H2,(H-,15,16,17,18)/p+1/t11-/m1/s1