(2S)-1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2,6-dimethylphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2,6-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=C(C(=CC=C1)C)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

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