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

Systemtic Name: (2R)-1-[2-methoxy-5-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-methoxy-5-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-(1-pyrrolidin-1-iumylmethyl)phenoxy]-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-methoxy-5-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C20H35N3O3+2 MolecularWeight: 365.5102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)C[NH+]3CCCC3)OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)C[NH+]3CCCC3)OC)O

InChI

InChI=1S/C20H33N3O3/c1-21-9-11-23(12-10-21)15-18(24)16-26-20-13-17(5-6-19(20)25-2)14-22-7-3-4-8-22/h5-6,13,18,24H,3-4,7-12,14-16H2,1-2H3/p+2/t18-/m1/s1