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

Systemtic Name: (2S)-1-(2,4-dimethylphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol CAS Name: (2S)-1-(2,4-dimethylphenoxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2,4-dimethylphenoxy)propan-2-ol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O)C

InChI

InChI=1S/C22H30N2O2/c1-18-8-9-22(19(2)14-18)26-17-21(25)16-24-12-10-23(11-13-24)15-20-6-4-3-5-7-20/h3-9,14,21,25H,10-13,15-17H2,1-2H3/p+1/t21-/m0/s1