(2R)-1-[5-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-[5-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[5-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[5-[(4-cyclopentyl-1-piperazin-4-iumyl)methyl]-2-methoxyphenoxy]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[5-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[5-[(4-cyclopentylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C24H41N3O3+2 MolecularWeight: 419.60064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)C3CCCC3)OCC(C[NH+]4CCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)C3CCCC3)OC[C@@H](C[NH+]4CCCC4)O

InChI

InChI=1S/C24H39N3O3/c1-29-23-9-8-20(16-24(23)30-19-22(28)18-25-10-4-5-11-25)17-26-12-14-27(15-13-26)21-6-2-3-7-21/h8-9,16,21-22,28H,2-7,10-15,17-19H2,1H3/p+2/t22-/m1/s1