ethanol; N-[(4-methoxyphenyl)methyl]-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline; iodide

Systemtic Name: ethanol; N-[(4-methoxyphenyl)methyl]-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline; iodide Openeye Name: ethanol; N-[(4-methoxyphenyl)methyl]-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline; iodide CAS Name: ethanol; N-[(4-methoxyphenyl)methyl]-N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]aniline; iodide IUPAC Name: ethanol; N-[(4-methoxyphenyl)methyl]-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline; iodide Traditional Name: ethanol; 2-(1-methylpiperidin-1-ium-1-yl)ethyl-p-anisyl-phenyl-amine; iodide Formula: C24H37IN2O2 MolecularWeight: 512.46725

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C[N+]1(CCCCC1)CCN(CC2=CC=C(C=C2)OC)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCO.C[N+]1(CCCCC1)CCN(CC2=CC=C(C=C2)OC)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C22H31N2O.C2H6O.HI/c1-24(16-7-4-8-17-24)18-15-23(21-9-5-3-6-10-21)19-20-11-13-22(25-2)14-12-20;1-2-3;/h3,5-6,9-14H,4,7-8,15-19H2,1-2H3;3H,2H2,1H3;1H/q+1;;/p-1