3-(3,3-dimethylindol-1-ium-1-yl)propanoic acid

Systemtic Name: 3-(3,3-dimethylindol-1-ium-1-yl)propanoic acid Openeye Name: 3-(3,3-dimethylindol-1-ium-1-yl)propanoic acid CAS Name: 3-(3,3-dimethyl-1-indol-1-iumyl)propanoic acid IUPAC Name: 3-(3,3-dimethylindol-1-ium-1-yl)propanoic acid Traditional Name: 3-(3,3-dimethylindol-1-ium-1-yl)propionic acid Formula: C13H16NO2+ MolecularWeight: 218.27164

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=[N+](C2=CC=CC=C21)CCC(=O)O)C

Isomeric SMILES

CC1(C=[N+](C2=CC=CC=C21)CCC(=O)O)C

InChI

InChI=1S/C13H15NO2/c1-13(2)9-14(8-7-12(15)16)11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3/p+1