N,N-diethyl-6-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide

Systemtic Name: N,N-diethyl-6-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N,N-diethyl-6-[(E)-2-(1H-indol-3-yl)vinyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N,N-diethyl-6-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N,N-diethyl-6-[(E)-2-(1H-indol-3-yl)ethenyl]-1-methylpyridin-1-ium-3-carboxamide iodide Traditional Name: N,N-diethyl-6-[(E)-2-(1H-indol-3-yl)vinyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Formula: C21H24IN3O MolecularWeight: 461.33923

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=C(C=C1)C=CC2=CNC3=CC=CC=C32)C.[I-]

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=C(C=C1)/C=C/C2=CNC3=CC=CC=C32)C.[I-]

InChI

InChI=1S/C21H23N3O.HI/c1-4-24(5-2)21(25)17-11-13-18(23(3)15-17)12-10-16-14-22-20-9-7-6-8-19(16)20;/h6-15H,4-5H2,1-3H3;1H