methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]ethanoate iodide

Systemtic Name: methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]ethanoate iodide Openeye Name: methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indol-1-yl]acetate iodide CAS Name: 2-[2-methyl-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1-indolyl]acetic acid methyl ester iodide IUPAC Name: methyl 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indol-1-yl]acetate iodide Traditional Name: 2-[2-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indol-1-yl]acetic acid methyl ester iodide Formula: C20H21IN2O2 MolecularWeight: 448.29741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(=O)OC)C=CC3=CC=[N+](C=C3)C.[I-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(=O)OC)/C=C/C3=CC=[N+](C=C3)C.[I-]

InChI

InChI=1S/C20H21N2O2.HI/c1-15-17(9-8-16-10-12-21(2)13-11-16)18-6-4-5-7-19(18)22(15)14-20(23)24-3;/h4-13H,14H2,1-3H3;1H/q+1;/p-1