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

Systemtic Name: (2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-3-(4-ethylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-3-(4-ethylphenoxy)propan-2-ol Formula: C22H30ClN2O2+ MolecularWeight: 389.9388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O2/c1-3-18-5-8-21(9-6-18)27-16-20(26)15-24-10-12-25(13-11-24)22-14-19(23)7-4-17(22)2/h4-9,14,20,26H,3,10-13,15-16H2,1-2H3/p+1/t20-/m0/s1