5-chloranyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1-(phenylmethyl)indole iodide

Systemtic Name: 5-chloranyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1-(phenylmethyl)indole iodide Openeye Name: 1-benzyl-5-chloro-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indole iodide CAS Name: 5-chloro-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1-(phenylmethyl)indole iodide IUPAC Name: 1-benzyl-5-chloro-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole iodide Traditional Name: 1-benzyl-5-chloro-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indole iodide Formula: C23H20ClIN2 MolecularWeight: 486.77577

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=CN(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=CN(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C23H20ClN2.HI/c1-25-13-11-18(12-14-25)7-8-20-17-26(16-19-5-3-2-4-6-19)23-10-9-21(24)15-22(20)23;/h2-15,17H,16H2,1H3;1H/q+1;/p-1