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

Systemtic Name: (2R)-1-[5-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[5-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[5-methoxy-2-(4-thiomorpholin-4-iumylmethyl)phenoxy]-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[5-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[5-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C20H35N3O3S+2 MolecularWeight: 397.5752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)OC)C[NH+]3CCSCC3)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)OC)C[NH+]3CCSCC3)O

InChI

InChI=1S/C20H33N3O3S/c1-21-5-7-22(8-6-21)15-18(24)16-26-20-13-19(25-2)4-3-17(20)14-23-9-11-27-12-10-23/h3-4,13,18,24H,5-12,14-16H2,1-2H3/p+2/t18-/m1/s1