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

Systemtic Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-(4-ethylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol Formula: C21H28ClN2O2+ MolecularWeight: 375.91222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C21H27ClN2O2/c1-2-17-6-8-21(9-7-17)26-16-20(25)15-23-10-12-24(13-11-23)19-5-3-4-18(22)14-19/h3-9,14,20,25H,2,10-13,15-16H2,1H3/p+1/t20-/m0/s1