[(2R)-3-[2-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-4-(4-thiomorpholin-4-iumylmethyl)phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C19H34N2O3S+2 MolecularWeight: 370.54986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=C(C=C1)C[NH+]2CCSCC2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=C(C=C1)C[NH+]2CCSCC2)OC)O

InChI

InChI=1S/C19H32N2O3S/c1-15(2)20(3)13-17(22)14-24-18-6-5-16(11-19(18)23-4)12-21-7-9-25-10-8-21/h5-6,11,15,17,22H,7-10,12-14H2,1-4H3/p+2/t17-/m1/s1