2-(1-methylpiperidin-1-ium-1-yl)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate iodide

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate iodide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate iodide CAS Name: (E)-3-(1H-indol-3-yl)-2-propenoic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate iodide Traditional Name: (E)-3-(1H-indol-3-yl)acrylic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester iodide Formula: C19H25IN2O2 MolecularWeight: 440.31847

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOC(=O)C=CC2=CNC3=CC=CC=C32.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCOC(=O)/C=C/C2=CNC3=CC=CC=C32.[I-]

InChI

InChI=1S/C19H24N2O2.HI/c1-21(11-5-2-6-12-21)13-14-23-19(22)10-9-16-15-20-18-8-4-3-7-17(16)18;/h3-4,7-10,15H,2,5-6,11-14H2,1H3;1H