[6-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methyl-pyridin-1-ium-3-yl]-piperidin-1-yl-methanone iodide

Systemtic Name: [6-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methyl-pyridin-1-ium-3-yl]-piperidin-1-yl-methanone iodide Openeye Name: [6-[(E)-2-(1H-indol-3-yl)vinyl]-1-methyl-pyridin-1-ium-3-yl]-(1-piperidyl)methanone iodide CAS Name: [6-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methyl-3-pyridin-1-iumyl]-(1-piperidinyl)methanone iodide IUPAC Name: [6-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridin-1-ium-3-yl]-piperidin-1-ylmethanone iodide Traditional Name: [6-[(E)-2-(1H-indol-3-yl)vinyl]-1-methyl-pyridin-1-ium-3-yl]-piperidino-methanone iodide Formula: C22H24IN3O MolecularWeight: 473.34993

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)C(=O)N2CCCCC2)C=CC3=CNC4=CC=CC=C43.[I-]

Isomeric SMILES

C[N+]1=C(C=CC(=C1)C(=O)N2CCCCC2)/C=C/C3=CNC4=CC=CC=C43.[I-]

InChI

InChI=1S/C22H23N3O.HI/c1-24-16-18(22(26)25-13-5-2-6-14-25)10-12-19(24)11-9-17-15-23-21-8-4-3-7-20(17)21;/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3;1H