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

Systemtic Name: 3-(2-pyridin-4-ylethyl)-1H-indol-1-ium chloride Openeye Name: 3-[2-(4-pyridyl)ethyl]-1H-indol-1-ium chloride CAS Name: 3-(2-pyridin-4-ylethyl)-1H-indol-1-ium chloride IUPAC Name: 3-(2-pyridin-4-ylethyl)-1H-indol-1-ium chloride Traditional Name: 3-[2-(4-pyridyl)ethyl]-1H-indol-1-ium chloride Formula: C15H15ClN2 MolecularWeight: 258.746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C[NH2+]2)CCC3=CC=NC=C3.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C[NH2+]2)CCC3=CC=NC=C3.[Cl-]

InChI

InChI=1S/C15H14N2.ClH/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12;/h1-4,7-11,17H,5-6H2;1H