(2S)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(3,5-dimethylphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C

InChI

InChI=1S/C21H28N2O2/c1-17-12-18(2)14-21(13-17)25-16-20(24)15-22-8-10-23(11-9-22)19-6-4-3-5-7-19/h3-7,12-14,20,24H,8-11,15-16H2,1-2H3/p+1/t20-/m0/s1