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

Systemtic Name: (2S)-4-(3,4-dimethylphenoxy)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]butan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(3,4-dimethylphenoxy)butan-2-ol CAS Name: (2S)-4-(3,4-dimethylphenoxy)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-butanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(3,4-dimethylphenoxy)butan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(3,4-dimethylphenoxy)butan-2-ol Formula: C29H37N2O2+ MolecularWeight: 445.61628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O2/c1-23-13-14-28(21-24(23)2)33-20-15-27(32)22-30-16-18-31(19-17-30)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,21,27,29,32H,15-20,22H2,1-2H3/p+1/t27-/m0/s1