2-[1-[(4-chlorophenyl)methyl]-1-pyridin-4-yl-indol-1-ium-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-1-pyridin-4-yl-indol-1-ium-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-1-(4-pyridyl)indol-1-ium-3-yl]-2-oxo-acetic acid CAS Name: 2-[1-[(4-chlorophenyl)methyl]-1-pyridin-4-yl-3-indol-1-iumyl]-2-oxoacetic acid IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-1-pyridin-4-ylindol-1-ium-3-yl]-2-oxoacetic acid Traditional Name: 2-[1-(4-chlorobenzyl)-1-(4-pyridyl)indol-1-ium-3-yl]-2-keto-acetic acid Formula: C22H16ClN2O3+ MolecularWeight: 391.82704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C[N+]2(CC3=CC=C(C=C3)Cl)C4=CC=NC=C4)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C[N+]2(CC3=CC=C(C=C3)Cl)C4=CC=NC=C4)C(=O)C(=O)O

InChI

InChI=1S/C22H15ClN2O3/c23-16-7-5-15(6-8-16)13-25(17-9-11-24-12-10-17)14-19(21(26)22(27)28)18-3-1-2-4-20(18)25/h1-12,14H,13H2/p+1