(2S)-1-(2,3-dimethylphenoxy)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2,3-dimethylphenoxy)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(2,3-dimethylphenoxy)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol Formula: C28H35N2O2+ MolecularWeight: 431.5897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(CN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC[C@H](CN2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)C

InChI

InChI=1S/C28H34N2O2/c1-22-10-9-15-27(23(22)2)32-21-26(31)20-29-16-18-30(19-17-29)28(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-15,26,28,31H,16-21H2,1-2H3/p+1/t26-/m0/s1