(2S)-1-(4-chloranyl-2-methyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-2-methyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-chloro-2-methyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-chloro-2-methylphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-2-methylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-chloro-2-methyl-phenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O2/c1-16-13-17(21)7-8-20(16)25-15-19(24)14-22-9-11-23(12-10-22)18-5-3-2-4-6-18/h2-8,13,19,24H,9-12,14-15H2,1H3/p+1/t19-/m0/s1