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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C21H32N4O3S+2 MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC(C[NH+]2CCSCC2)O)OC)CC3=NC=CN=C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCSCC2)O)OC)CC3=NC=CN=C3

InChI

InChI=1S/C21H30N4O3S/c1-24(14-18-12-22-5-6-23-18)13-17-3-4-20(21(11-17)27-2)28-16-19(26)15-25-7-9-29-10-8-25/h3-6,11-12,19,26H,7-10,13-16H2,1-2H3/p+2/t19-/m1/s1