dimethyl-[2-(5-oxidanyl-1H-indol-1-ium-3-yl)ethyl]azanium; ethanedioate

Systemtic Name: dimethyl-[2-(5-oxidanyl-1H-indol-1-ium-3-yl)ethyl]azanium; ethanedioate Openeye Name: 2-(5-hydroxy-1H-indol-1-ium-3-yl)ethyl-dimethyl-ammonium; oxalate CAS Name: 2-(5-hydroxy-1H-indol-1-ium-3-yl)ethyl-dimethylammonium; oxalate IUPAC Name: 2-(5-hydroxy-1H-indol-1-ium-3-yl)ethyl-dimethylazanium; oxalate Traditional Name: 2-(5-hydroxy-1H-indol-1-ium-3-yl)ethyl-dimethyl-ammonium; oxalate Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1=C[NH2+]C2=C1C=C(C=C2)O.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+](C)CCC1=C[NH2+]C2=C1C=C(C=C2)O.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C12H16N2O.C2H2O4/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;3-1(4)2(5)6/h3-4,7-8,13,15H,5-6H2,1-2H3;(H,3,4)(H,5,6)