4-chloranyl-2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 4-chloranyl-2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-phenethylpiperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C21H28ClN2O2+ MolecularWeight: 375.91222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCC2=CC=CC=C2)CCO)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCC2=CC=CC=C2)CCO)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C21H27ClN2O2/c22-19-6-7-21(26)18(14-19)15-23-11-12-24(20(16-23)9-13-25)10-8-17-4-2-1-3-5-17/h1-7,14,20,25-26H,8-13,15-16H2/p+1/t20-/m0/s1