(2S)-1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-tert-butylcyclohexoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-tert-butylcyclohexoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C18H37N2O2+ MolecularWeight: 313.49858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OCC(CN2CC[NH+](CC2)C)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC[C@H](CN2CC[NH+](CC2)C)O

InChI

InChI=1S/C18H36N2O2/c1-18(2,3)15-5-7-17(8-6-15)22-14-16(21)13-20-11-9-19(4)10-12-20/h15-17,21H,5-14H2,1-4H3/p+1/t15?,16-,17?/m0/s1