4-[4-methyl-4-(4-oxidanyl-4,4-diphenyl-butyl)piperazin-4-ium-1-yl]-1,1-diphenyl-butan-1-ol iodide

Systemtic Name: 4-[4-methyl-4-(4-oxidanyl-4,4-diphenyl-butyl)piperazin-4-ium-1-yl]-1,1-diphenyl-butan-1-ol iodide Openeye Name: 4-[4-(4-hydroxy-4,4-diphenyl-butyl)-4-methyl-piperazin-4-ium-1-yl]-1,1-diphenyl-butan-1-ol iodide CAS Name: 4-[4-(4-hydroxy-4,4-diphenylbutyl)-4-methyl-1-piperazin-4-iumyl]-1,1-diphenyl-1-butanol iodide IUPAC Name: 4-[4-(4-hydroxy-4,4-diphenylbutyl)-4-methylpiperazin-4-ium-1-yl]-1,1-diphenylbutan-1-ol iodide Traditional Name: 4-[4-(4-hydroxy-4,4-diphenyl-butyl)-4-methyl-piperazin-4-ium-1-yl]-1,1-diphenyl-butan-1-ol iodide Formula: C37H45IN2O2 MolecularWeight: 676.66987

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC(C4=CC=CC=C4)(C5=CC=CC=C5)O.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC(C4=CC=CC=C4)(C5=CC=CC=C5)O.[I-]

InChI

InChI=1S/C37H45N2O2.HI/c1-39(29-15-25-37(41,34-20-10-4-11-21-34)35-22-12-5-13-23-35)30-27-38(28-31-39)26-14-24-36(40,32-16-6-2-7-17-32)33-18-8-3-9-19-33;/h2-13,16-23,40-41H,14-15,24-31H2,1H3;1H/q+1;/p-1