1-methyl-3-(2-pyridin-1-ium-4-ylethyl)indole chloride

Systemtic Name: 1-methyl-3-(2-pyridin-1-ium-4-ylethyl)indole chloride Openeye Name: 1-methyl-3-(2-pyridin-1-ium-4-ylethyl)indole chloride CAS Name: 1-methyl-3-[2-(4-pyridin-1-iumyl)ethyl]indole chloride IUPAC Name: 1-methyl-3-(2-pyridin-1-ium-4-ylethyl)indole chloride Traditional Name: 1-methyl-3-(2-pyridin-1-ium-4-ylethyl)indole chloride Formula: C16H17ClN2 MolecularWeight: 272.77258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CCC3=CC=[NH+]C=C3.[Cl-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CCC3=CC=[NH+]C=C3.[Cl-]

InChI

InChI=1S/C16H16N2.ClH/c1-18-12-14(15-4-2-3-5-16(15)18)7-6-13-8-10-17-11-9-13;/h2-5,8-12H,6-7H2,1H3;1H