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

Systemtic Name: 2-chloranyl-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-chloro-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-chloro-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-chloro-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-chloro-4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C18H28ClN2O2+ MolecularWeight: 339.88012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=CC(=C(C=C3)O)Cl

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=C(C=C3)O)Cl

InChI

InChI=1S/C18H27ClN2O2/c19-17-11-14(5-6-18(17)23)12-20-8-9-21(15-3-1-2-4-15)16(13-20)7-10-22/h5-6,11,15-16,22-23H,1-4,7-10,12-13H2/p+1/t16-/m0/s1