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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C23H42N3O3S+3 MolecularWeight: 440.66288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N3O3S/c1-24-8-6-19(7-9-24)15-25(2)16-20-4-5-22(23(14-20)28-3)29-18-21(27)17-26-10-12-30-13-11-26/h4-5,14,19,21,27H,6-13,15-18H2,1-3H3/p+3/t21-/m1/s1