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

Systemtic Name: ethanol; 4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-N-phenyl-aniline; dibromide Openeye Name: ethanol; 4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-N-phenyl-aniline; dibromide CAS Name: ethanol; 4-methoxy-N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]-N-phenylaniline; dibromide IUPAC Name: ethanol; 4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-N-phenylaniline; dibromide Traditional Name: ethanol; (4-methoxyphenyl)-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-phenyl-amine; dibromide Formula: C44H64Br2N4O3 MolecularWeight: 856.81196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H29N2O.C2H6O.2BrH/c2*1-23(16-7-4-8-17-23)18-15-22(19-9-5-3-6-10-19)20-11-13-21(24-2)14-12-20;1-2-3;;/h2*3,5-6,9-14H,4,7-8,15-18H2,1-2H3;3H,2H2,1H3;2*1H/q2*+1;;;/p-2