(2R)-1-[4-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methyl-amino]methyl]-2-methoxy-phenoxy]-3-thiomorpholin-4-yl-propan-2-ol

Systemtic Name: (2R)-1-[4-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methyl-amino]methyl]-2-methoxy-phenoxy]-3-thiomorpholin-4-yl-propan-2-ol Openeye Name: (2R)-1-[4-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methyl-amino]methyl]-2-methoxy-phenoxy]-3-thiomorpholino-propan-2-ol CAS Name: (2R)-1-[4-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]-3-thiomorpholin-4-yl-2-propanol IUPAC Name: (2R)-1-[4-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methylamino]methyl]-2-methoxyphenoxy]-3-thiomorpholin-4-ylpropan-2-ol Traditional Name: (2R)-1-[4-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methyl-amino]methyl]-2-methoxy-phenoxy]-3-thiomorpholino-propan-2-ol Formula: C22H35N4O3S+ MolecularWeight: 435.6033

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN(C)CC2=CC(=C(C=C2)OCC(CN3CCSCC3)O)OC

Isomeric SMILES

CC[N+]1=C(NC=C1)CN(C)CC2=CC(=C(C=C2)OC[C@@H](CN3CCSCC3)O)OC

InChI

InChI=1S/C22H34N4O3S/c1-4-26-8-7-23-22(26)16-24(2)14-18-5-6-20(21(13-18)28-3)29-17-19(27)15-25-9-11-30-12-10-25/h5-8,13,19,27H,4,9-12,14-17H2,1-3H3/p+1/t19-/m1/s1