1,1,3-trimethyl-5-(phenylcarbonyl)indol-1-ium-2-carboxylic acid

Systemtic Name: 1,1,3-trimethyl-5-(phenylcarbonyl)indol-1-ium-2-carboxylic acid Openeye Name: 5-benzoyl-1,1,3-trimethyl-indol-1-ium-2-carboxylic acid CAS Name: 5-benzoyl-1,1,3-trimethyl-2-indol-1-iumcarboxylic acid IUPAC Name: 5-benzoyl-1,1,3-trimethylindol-1-ium-2-carboxylic acid Traditional Name: 5-benzoyl-1,1,3-trimethyl-indol-1-ium-2-carboxylic acid Formula: C19H18NO3+ MolecularWeight: 308.35112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](C2=C1C=C(C=C2)C(=O)C3=CC=CC=C3)(C)C)C(=O)O

Isomeric SMILES

CC1=C([N+](C2=C1C=C(C=C2)C(=O)C3=CC=CC=C3)(C)C)C(=O)O

InChI

InChI=1S/C19H17NO3/c1-12-15-11-14(18(21)13-7-5-4-6-8-13)9-10-16(15)20(2,3)17(12)19(22)23/h4-11H,1-3H3/p+1