(2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-cyclohexyloxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-cyclohexyloxy-propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(cyclohexoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-cyclohexyloxy-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-cyclohexyloxypropan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(cyclohexoxy)propan-2-ol Formula: C19H30ClN2O2+ MolecularWeight: 353.9067

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCC(C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

Isomeric SMILES

C1CCC(CC1)OC[C@H](C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C19H29ClN2O2/c20-16-5-4-6-17(13-16)22-11-9-21(10-12-22)14-18(23)15-24-19-7-2-1-3-8-19/h4-6,13,18-19,23H,1-3,7-12,14-15H2/p+1/t18-/m0/s1