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

Systemtic Name: 4-chloranyl-2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C16H26ClN2O2+ MolecularWeight: 313.84284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C16H25ClN2O2/c1-12(2)19-7-6-18(11-15(19)5-8-20)10-13-9-14(17)3-4-16(13)21/h3-4,9,12,15,20-21H,5-8,10-11H2,1-2H3/p+1/t15-/m0/s1