(2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-(4-propylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol Formula: C23H32ClN2O2+ MolecularWeight: 403.96538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN2O2/c1-3-4-19-6-9-22(10-7-19)28-17-21(27)16-25-11-13-26(14-12-25)23-15-20(24)8-5-18(23)2/h5-10,15,21,27H,3-4,11-14,16-17H2,1-2H3/p+1/t21-/m0/s1