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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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