(2R)-1-[2-methoxy-4-[(4-propylpiperazin-4-ium-1-yl)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2R)-1-[2-methoxy-4-[(4-propylpiperazin-4-ium-1-yl)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-4-[(4-propylpiperazin-4-ium-1-yl)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-4-[(4-propyl-1-piperazin-4-iumyl)methyl]phenoxy]-3-(4-thiomorpholin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-4-[(4-propylpiperazin-4-ium-1-yl)methyl]phenoxy]-3-thiomorpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-4-[(4-propylpiperazin-4-ium-1-yl)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Formula: C22H39N3O3S+2 MolecularWeight: 425.62836

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C22H37N3O3S/c1-3-6-23-7-9-24(10-8-23)16-19-4-5-21(22(15-19)27-2)28-18-20(26)17-25-11-13-29-14-12-25/h4-5,15,20,26H,3,6-14,16-18H2,1-2H3/p+2/t20-/m1/s1