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

Systemtic Name: 4-chloranyl-2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C19H30ClN2O2+ MolecularWeight: 353.9067

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C19H29ClN2O2/c20-16-6-7-19(24)15(12-16)13-21-9-10-22(18(14-21)8-11-23)17-4-2-1-3-5-17/h6-7,12,17-18,23-24H,1-5,8-11,13-14H2/p+1/t18-/m0/s1