4-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)-1,1-diphenyl-butan-1-ol

Systemtic Name: 4-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)-1,1-diphenyl-butan-1-ol Openeye Name: 4-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)-1,1-diphenyl-butan-1-ol CAS Name: 4-(1-methyl-4-phenyl-1-piperazin-1-iumyl)-1,1-diphenyl-1-butanol IUPAC Name: 4-(1-methyl-4-phenylpiperazin-1-ium-1-yl)-1,1-diphenylbutan-1-ol Traditional Name: 4-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)-1,1-diphenyl-butan-1-ol Formula: C27H33N2O+ MolecularWeight: 401.56372

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=CC=C2)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=CC=C2)CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H33N2O/c1-29(22-19-28(20-23-29)26-16-9-4-10-17-26)21-11-18-27(30,24-12-5-2-6-13-24)25-14-7-3-8-15-25/h2-10,12-17,30H,11,18-23H2,1H3/q+1