cyclooctyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: cyclooctyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: cyclooctyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cyclooctyl-[[4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cyclooctyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cyclooctyl-[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]ammonium Formula: C25H45N3O3+2 MolecularWeight: 435.6431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)C[NH2+]C3CCCCCCC3)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C[NH2+]C3CCCCCCC3)OC)O

InChI

InChI=1S/C25H43N3O3/c1-3-27-13-15-28(16-14-27)19-23(29)20-31-24-12-11-21(17-25(24)30-2)18-26-22-9-7-5-4-6-8-10-22/h11-12,17,22-23,26,29H,3-10,13-16,18-20H2,1-2H3/p+2/t23-/m0/s1