1-cyclopentyl-2-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-1,3-diphenyl-propan-1-ol

Systemtic Name: 1-cyclopentyl-2-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-1,3-diphenyl-propan-1-ol Openeye Name: 2-benzyl-1-cyclopentyl-3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-propan-1-ol CAS Name: 1-cyclopentyl-2-[(4,4-dimethyl-1-piperazin-4-iumyl)methyl]-1,3-diphenyl-1-propanol IUPAC Name: 2-benzyl-1-cyclopentyl-3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylpropan-1-ol Traditional Name: 2-benzyl-1-cyclopentyl-3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenyl-propan-1-ol Formula: C27H39N2O+ MolecularWeight: 407.61136

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CC(CC2=CC=CC=C2)C(C3CCCC3)(C4=CC=CC=C4)O)C

Isomeric SMILES

C[N+]1(CCN(CC1)CC(CC2=CC=CC=C2)C(C3CCCC3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C27H39N2O/c1-29(2)19-17-28(18-20-29)22-26(21-23-11-5-3-6-12-23)27(30,25-15-9-10-16-25)24-13-7-4-8-14-24/h3-8,11-14,25-26,30H,9-10,15-22H2,1-2H3/q+1