1-(phenylmethyl)-3-(2-pyridin-4-ylethyl)-1H-indol-1-ium chloride

Systemtic Name: 1-(phenylmethyl)-3-(2-pyridin-4-ylethyl)-1H-indol-1-ium chloride Openeye Name: 1-benzyl-3-[2-(4-pyridyl)ethyl]-1H-indol-1-ium chloride CAS Name: 1-(phenylmethyl)-3-(2-pyridin-4-ylethyl)-1H-indol-1-ium chloride IUPAC Name: 1-benzyl-3-(2-pyridin-4-ylethyl)-1H-indol-1-ium chloride Traditional Name: 1-benzyl-3-[2-(4-pyridyl)ethyl]-1H-indol-1-ium chloride Formula: C22H21ClN2 MolecularWeight: 348.86854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+]2C=C(C3=CC=CC=C32)CCC4=CC=NC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+]2C=C(C3=CC=CC=C32)CCC4=CC=NC=C4.[Cl-]

InChI

InChI=1S/C22H20N2.ClH/c1-2-6-19(7-3-1)16-24-17-20(21-8-4-5-9-22(21)24)11-10-18-12-14-23-15-13-18;/h1-9,12-15,17H,10-11,16H2;1H