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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(4-propylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Formula: C22H30ClN2O2+ MolecularWeight: 389.9388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C22H29ClN2O2/c1-2-4-18-7-9-22(10-8-18)27-17-21(26)16-24-11-13-25(14-12-24)20-6-3-5-19(23)15-20/h3,5-10,15,21,26H,2,4,11-14,16-17H2,1H3/p+1/t21-/m0/s1