N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]aniline iodide

Systemtic Name: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]aniline iodide Openeye Name: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]aniline iodide CAS Name: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]aniline iodide IUPAC Name: N-(4-ethoxyphenyl)-N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]aniline iodide Traditional Name: methyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl]-p-phenetyl-amine iodide Formula: C27H27IN2O MolecularWeight: 522.42055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)C=CC3=[N+](C4=CC=CC=C4C=C3)C.[I-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)/C=C/C3=[N+](C4=CC=CC=C4C=C3)C.[I-]

InChI

InChI=1S/C27H27N2O.HI/c1-4-30-26-19-17-24(18-20-26)28(2)23-13-9-21(10-14-23)11-15-25-16-12-22-7-5-6-8-27(22)29(25)3;/h5-20H,4H2,1-3H3;1H/q+1;/p-1