2-[(2R)-4-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-1-cyclohexyl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2R)-4-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-1-cyclohexyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2R)-4-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-1-cyclohexyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2R)-4-[[2-(4-chlorophenyl)-5-pyrimidinyl]methyl]-1-cyclohexyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2R)-4-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-1-cyclohexylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2R)-4-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]-1-cyclohexyl-piperazin-4-ium-2-yl]ethanol Formula: C23H32ClN4O+ MolecularWeight: 415.97938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC[NH+](CC2CCO)CC3=CN=C(N=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)N2CC[NH+](C[C@H]2CCO)CC3=CN=C(N=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H31ClN4O/c24-20-8-6-19(7-9-20)23-25-14-18(15-26-23)16-27-11-12-28(22(17-27)10-13-29)21-4-2-1-3-5-21/h6-9,14-15,21-22,29H,1-5,10-13,16-17H2/p+1/t22-/m1/s1