cyclopentyl-[[4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: cyclopentyl-[[4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cyclopentyl-[[2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: cyclopentyl-[[2-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: cyclopentyl-[[2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: cyclopentyl-[2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]ammonium Formula: C21H37N3O3+2 MolecularWeight: 379.53678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)OC)C[NH2+]C3CCCC3)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)OC)C[NH2+]C3CCCC3)O

InChI

InChI=1S/C21H35N3O3/c1-23-9-11-24(12-10-23)15-19(25)16-27-21-13-20(26-2)8-7-17(21)14-22-18-5-3-4-6-18/h7-8,13,18-19,22,25H,3-6,9-12,14-16H2,1-2H3/p+2/t19-/m1/s1