[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[(6-methylpyridin-2-yl)methyl]azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[(6-methylpyridin-2-yl)methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-[(6-methyl-2-pyridyl)methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[(6-methyl-2-pyridinyl)methyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-[(6-methylpyridin-2-yl)methyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-[(6-methyl-2-pyridyl)methyl]ammonium Formula: C22H33N3O3S+2 MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

CC1=NC(=CC=C1)C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C22H31N3O3S/c1-17-4-3-5-19(24-17)14-23-13-18-6-7-21(22(12-18)27-2)28-16-20(26)15-25-8-10-29-11-9-25/h3-7,12,20,23,26H,8-11,13-16H2,1-2H3/p+2/t20-/m1/s1