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

Systemtic Name: 4-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O2/c23-13-10-19-16-21(14-18-6-8-20(24)9-7-18)11-12-22(19)15-17-4-2-1-3-5-17/h6-9,17,19,23-24H,1-5,10-16H2/p+1/t19-/m0/s1