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

Systemtic Name: 2-chloranyl-4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-chloro-4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-chloro-4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-chloro-4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-chloro-4-[[(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=CC(=C(C=C3)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN2O2/c20-18-12-15(6-7-19(18)24)13-21-9-10-22(17(14-21)8-11-23)16-4-2-1-3-5-16/h6-7,12,16-17,23-24H,1-5,8-11,13-14H2/p+1/t17-/m0/s1