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

Systemtic Name: 2-chloranyl-4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-chloro-4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C14H22ClN2O2+ MolecularWeight: 285.78968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2O2/c1-16-5-6-17(10-12(16)4-7-18)9-11-2-3-14(19)13(15)8-11/h2-3,8,12,18-19H,4-7,9-10H2,1H3/p+1/t12-/m0/s1