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

Systemtic Name: (2R)-1-[5-methoxy-2-[[4-(2-methoxyethyl)piperazin-4-ium-1-yl]methyl]phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[5-methoxy-2-[[4-(2-methoxyethyl)piperazin-4-ium-1-yl]methyl]phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[5-methoxy-2-[[4-(2-methoxyethyl)-1-piperazin-4-iumyl]methyl]phenoxy]-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[5-methoxy-2-[[4-(2-methoxyethyl)piperazin-4-ium-1-yl]methyl]phenoxy]-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[5-methoxy-2-[[4-(2-methoxyethyl)piperazin-4-ium-1-yl]methyl]phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C22H39N3O4+2 MolecularWeight: 409.56276

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCN(CC1)CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COCC[NH+]1CCN(CC1)CC2=C(C=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H37N3O4/c1-27-14-13-23-9-11-25(12-10-23)16-19-5-6-21(28-2)15-22(19)29-18-20(26)17-24-7-3-4-8-24/h5-6,15,20,26H,3-4,7-14,16-18H2,1-2H3/p+2/t20-/m1/s1