1-(phenylmethyl)indol-1-ium-1-carboxylic acid

Systemtic Name: 1-(phenylmethyl)indol-1-ium-1-carboxylic acid Openeye Name: 1-benzylindol-1-ium-1-carboxylic acid CAS Name: 1-(phenylmethyl)-1-indol-1-iumcarboxylic acid IUPAC Name: 1-benzylindol-1-ium-1-carboxylic acid Traditional Name: 1-benzylindol-1-ium-1-carboxylic acid Formula: C16H14NO2+ MolecularWeight: 252.28786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2(C=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2(C=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H13NO2/c18-16(19)17(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)17/h1-11H,12H2/p+1