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

Systemtic Name: (1-ethylimidazol-2-yl)methyl-[[3-methoxy-4-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: (1-ethylimidazol-2-yl)methyl-[[4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]-methyl-ammonium CAS Name: (1-ethyl-2-imidazolyl)methyl-[[4-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]-methylammonium IUPAC Name: (1-ethylimidazol-2-yl)methyl-[[4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]-methylazanium Traditional Name: (1-ethylimidazol-2-yl)methyl-[4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-ammonium Formula: C22H36N4O3S+2 MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C=CN=C1C[NH+](C)CC2=CC(=C(C=C2)OC[C@H](C[NH+]3CCSCC3)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+2/t19-/m0/s1