N,N-diethyl-1-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-1-ium-4-amine iodide

Systemtic Name: N,N-diethyl-1-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-1-ium-4-amine iodide Openeye Name: N,N-diethyl-1-methyl-2-[(E)-2-(p-tolyl)vinyl]quinolin-1-ium-4-amine iodide CAS Name: N,N-diethyl-1-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-4-quinolin-1-iumamine iodide IUPAC Name: N,N-diethyl-1-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-1-ium-4-amine iodide Traditional Name: diethyl-[1-methyl-2-[(E)-2-(p-tolyl)vinyl]quinolin-1-ium-4-yl]amine iodide Formula: C23H27IN2 MolecularWeight: 458.37835

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=[N+](C2=CC=CC=C21)C)C=CC3=CC=C(C=C3)C.[I-]

Isomeric SMILES

CCN(CC)C1=CC(=[N+](C2=CC=CC=C21)C)/C=C/C3=CC=C(C=C3)C.[I-]

InChI

InChI=1S/C23H27N2.HI/c1-5-25(6-2)23-17-20(16-15-19-13-11-18(3)12-14-19)24(4)22-10-8-7-9-21(22)23;/h7-17H,5-6H2,1-4H3;1H/q+1;/p-1/b16-15+;