(2R)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(3-methylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O2/c1-16-4-2-7-20(12-16)25-15-19(24)14-22-8-10-23(11-9-22)18-6-3-5-17(21)13-18/h2-7,12-13,19,24H,8-11,14-15H2,1H3/p+1/t19-/m1/s1