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

Systemtic Name: 1-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]piperidin-1-ium-4-carboxamide Formula: C21H35N3O4S+2 MolecularWeight: 425.5853

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C21H33N3O4S/c1-27-20-12-16(13-23-6-4-17(5-7-23)21(22)26)2-3-19(20)28-15-18(25)14-24-8-10-29-11-9-24/h2-3,12,17-18,25H,4-11,13-15H2,1H3,(H2,22,26)/p+2/t18-/m1/s1