cyclohexyl-[(2S)-3-[3-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2S)-3-[3-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-[3-[(4-acetylpiperazin-1-ium-1-yl)methyl]phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: [(2S)-3-[3-[(4-acetyl-1-piperazin-1-iumyl)methyl]phenoxy]-2-hydroxypropyl]-cyclohexyl-methylammonium IUPAC Name: [(2S)-3-[3-[(4-acetylpiperazin-1-ium-1-yl)methyl]phenoxy]-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: [(2S)-3-[3-[(4-acetylpiperazin-1-ium-1-yl)methyl]phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C23H39N3O3+2 MolecularWeight: 405.57406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC[C@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C23H37N3O3/c1-19(27)26-13-11-25(12-14-26)16-20-7-6-10-23(15-20)29-18-22(28)17-24(2)21-8-4-3-5-9-21/h6-7,10,15,21-22,28H,3-5,8-9,11-14,16-18H2,1-2H3/p+2/t22-/m0/s1