1-[1-[2-(2-methylphenoxy)ethyl]piperazin-1-ium-1-yl]-1-phenyl-butan-2-ol dihydrochloride

Systemtic Name: 1-[1-[2-(2-methylphenoxy)ethyl]piperazin-1-ium-1-yl]-1-phenyl-butan-2-ol dihydrochloride Openeye Name: 1-[1-[2-(2-methylphenoxy)ethyl]piperazin-1-ium-1-yl]-1-phenyl-butan-2-ol dihydrochloride CAS Name: 1-[1-[2-(2-methylphenoxy)ethyl]-1-piperazin-1-iumyl]-1-phenyl-2-butanol dihydrochloride IUPAC Name: 1-[1-[2-(2-methylphenoxy)ethyl]piperazin-1-ium-1-yl]-1-phenylbutan-2-ol dihydrochloride Traditional Name: 1-[1-[2-(2-methylphenoxy)ethyl]piperazin-1-ium-1-yl]-1-phenyl-butan-2-ol dihydrochloride Formula: C23H35Cl2N2O2+ MolecularWeight: 442.4422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)[N+]2(CCNCC2)CCOC3=CC=CC=C3C)O.Cl.Cl

Isomeric SMILES

CCC(C(C1=CC=CC=C1)[N+]2(CCNCC2)CCOC3=CC=CC=C3C)O.Cl.Cl

InChI

InChI=1S/C23H33N2O2.2ClH/c1-3-21(26)23(20-10-5-4-6-11-20)25(15-13-24-14-16-25)17-18-27-22-12-8-7-9-19(22)2;;/h4-12,21,23-24,26H,3,13-18H2,1-2H3;2*1H/q+1;;