1-[1-(2-phenoxyphenyl)butyl]-1-(3-phenylpropyl)piperazin-1-ium dihydrochloride

Systemtic Name: 1-[1-(2-phenoxyphenyl)butyl]-1-(3-phenylpropyl)piperazin-1-ium dihydrochloride Openeye Name: 1-[1-(2-phenoxyphenyl)butyl]-1-(3-phenylpropyl)piperazin-1-ium dihydrochloride CAS Name: 1-[1-(2-phenoxyphenyl)butyl]-1-(3-phenylpropyl)piperazin-1-ium dihydrochloride IUPAC Name: 1-[1-(2-phenoxyphenyl)butyl]-1-(3-phenylpropyl)piperazin-1-ium dihydrochloride Traditional Name: 1-[1-(2-phenoxyphenyl)butyl]-1-(3-phenylpropyl)piperazin-1-ium dihydrochloride Formula: C29H39Cl2N2O+ MolecularWeight: 502.53876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1OC2=CC=CC=C2)[N+]3(CCNCC3)CCCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1OC2=CC=CC=C2)[N+]3(CCNCC3)CCCC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C29H37N2O.2ClH/c1-2-12-28(27-18-9-10-19-29(27)32-26-16-7-4-8-17-26)31(23-20-30-21-24-31)22-11-15-25-13-5-3-6-14-25;;/h3-10,13-14,16-19,28,30H,2,11-12,15,20-24H2,1H3;2*1H/q+1;;