3-[3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[3-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenoxy]propyl-dimethyl-ammonium Formula: C24H43N3O2+2 MolecularWeight: 405.61712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC(=C1)CN2CC[NH+](C(C2)CCO)C3CCCCC3

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C24H41N3O2/c1-25(2)13-7-17-29-24-11-6-8-21(18-24)19-26-14-15-27(23(20-26)12-16-28)22-9-4-3-5-10-22/h6,8,11,18,22-23,28H,3-5,7,9-10,12-17,19-20H2,1-2H3/p+2/t23-/m0/s1