(2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-propan-2-ol

Systemtic Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-[(1S,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-propan-2-ol Openeye Name: (2S)-1-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-methyl-1-piperazin-4-iumyl)-3-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propanol IUPAC Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-3-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol Traditional Name: (2S)-1-[(1S,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-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:

CC1CCC(C(C1)OCC(CN2CC[NH+](CC2)C)O)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@H](C1)OC[C@H](CN2CC[NH+](CC2)C)O)C(C)C

InChI

InChI=1S/C18H36N2O2/c1-14(2)17-6-5-15(3)11-18(17)22-13-16(21)12-20-9-7-19(4)8-10-20/h14-18,21H,5-13H2,1-4H3/p+1/t15-,16-,17-,18-/m0/s1