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

Systemtic Name: (1-ethylimidazol-2-yl)methyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: (1-ethylimidazol-2-yl)methyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: (1-ethyl-2-imidazolyl)methyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: (1-ethylimidazol-2-yl)methyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: (1-ethylimidazol-2-yl)methyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C21H34N4O3S+2 MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

CCN1C=CN=C1C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C21H32N4O3S/c1-3-25-7-6-23-21(25)14-22-13-17-4-5-19(20(12-17)27-2)28-16-18(26)15-24-8-10-29-11-9-24/h4-7,12,18,22,26H,3,8-11,13-16H2,1-2H3/p+2/t18-/m1/s1