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

Systemtic Name: (2R)-1-[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H39N3O2+2 MolecularWeight: 377.56396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC[C@@H](C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O)C(C)C

InChI

InChI=1S/C22H37N3O2/c1-17(2)20-8-7-18(3)14-21(20)27-16-19(26)15-24-10-12-25(13-11-24)22-6-4-5-9-23-22/h4-6,9,17-21,26H,7-8,10-16H2,1-3H3/p+2/t18-,19+,20-,21+/m0/s1