1-(1H-imidazol-5-ylmethyl)-1-methyl-indol-1-ium-3-carboxylic acid

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-1-methyl-indol-1-ium-3-carboxylic acid Openeye Name: 1-(1H-imidazol-5-ylmethyl)-1-methyl-indol-1-ium-3-carboxylic acid CAS Name: 1-(1H-imidazol-5-ylmethyl)-1-methyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-1-methylindol-1-ium-3-carboxylic acid Traditional Name: 1-(1H-imidazol-5-ylmethyl)-1-methyl-indol-1-ium-3-carboxylic acid Formula: C14H14N3O2+ MolecularWeight: 256.27986

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C2=CC=CC=C21)C(=O)O)CC3=CN=CN3

Isomeric SMILES

C[N+]1(C=C(C2=CC=CC=C21)C(=O)O)CC3=CN=CN3

InChI

InChI=1S/C14H13N3O2/c1-17(7-10-6-15-9-16-10)8-12(14(18)19)11-4-2-3-5-13(11)17/h2-6,8-9H,7H2,1H3,(H-,15,16,18,19)/p+1