(2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C21H28ClN2O2+ MolecularWeight: 375.91222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H27ClN2O2/c1-16-12-20(13-17(2)21(16)22)26-15-19(25)14-23-8-10-24(11-9-23)18-6-4-3-5-7-18/h3-7,12-13,19,25H,8-11,14-15H2,1-2H3/p+1/t19-/m0/s1