(2S)-1-[5-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[5-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[5-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[5-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxyphenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[5-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[5-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C26H45N3O3+2 MolecularWeight: 447.6538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCN(CC2)C3CCCC3)OCC(C[NH+]4CCCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCN(CC2)C3CCCC3)OC[C@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C26H43N3O3/c1-31-25-11-10-22(18-26(25)32-21-24(30)20-27-12-5-2-6-13-27)19-28-14-7-15-29(17-16-28)23-8-3-4-9-23/h10-11,18,23-24,30H,2-9,12-17,19-21H2,1H3/p+2/t24-/m0/s1