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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C21H38N3O3S+3 MolecularWeight: 412.60972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3S/c1-23-7-5-18(6-8-23)22-14-17-3-4-20(21(13-17)26-2)27-16-19(25)15-24-9-11-28-12-10-24/h3-4,13,18-19,22,25H,5-12,14-16H2,1-2H3/p+3/t19-/m1/s1