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

Systemtic Name: [3-methoxy-4-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Openeye Name: [4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Traditional Name: [4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C22H40N3O3S+3 MolecularWeight: 426.6363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH2+]CC2=CC(=C(C=C2)OC[C@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C22H37N3O3S/c1-24-7-5-18(6-8-24)14-23-15-19-3-4-21(22(13-19)27-2)28-17-20(26)16-25-9-11-29-12-10-25/h3-4,13,18,20,23,26H,5-12,14-17H2,1-2H3/p+3/t20-/m0/s1