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

Systemtic Name: (2R)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-propan-2-ol Openeye Name: (2R)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]propan-2-ol CAS Name: (2R)-1-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-propanol IUPAC Name: (2R)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol Traditional Name: (2R)-1-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-3-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]propan-2-ol Formula: C23H38ClN2O2+ MolecularWeight: 410.01302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H37ClN2O2/c1-17(2)22-8-7-18(3)13-23(22)28-16-21(27)15-25-9-11-26(12-10-25)20-6-4-5-19(24)14-20/h4-6,14,17-18,21-23,27H,7-13,15-16H2,1-3H3/p+1/t18-,21+,22-,23+/m0/s1