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

Systemtic Name: [2-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(2-piperidin-1-ylethyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[2-(1-piperidyl)ethyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]phenyl]methyl-[2-(1-piperidinyl)ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]phenyl]methyl-(2-piperidin-1-ylethyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]benzyl]-(2-piperidinoethyl)ammonium Formula: C21H37N3O2S+2 MolecularWeight: 395.60238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC[NH2+]CC2=CC=CC=C2OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

C1CCN(CC1)CC[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C21H35N3O2S/c25-20(17-24-12-14-27-15-13-24)18-26-21-7-3-2-6-19(21)16-22-8-11-23-9-4-1-5-10-23/h2-3,6-7,20,22,25H,1,4-5,8-18H2/p+2/t20-/m0/s1