2,1,3-benzothiadiazol-5-ylmethyl-[[3-[(2S)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-[(2S)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-[(2S)-2-hydroxy-3-morpholino-propoxy]phenyl]methyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-[(2S)-2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]methyl]azanium Traditional Name: [3-[(2S)-2-hydroxy-3-morpholino-propoxy]benzyl]-(piazthiol-5-ylmethyl)ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(COC2=CC=CC(=C2)C[NH2+]CC3=CC4=NSN=C4C=C3)O

Isomeric SMILES

C1COCCN1C[C@@H](COC2=CC=CC(=C2)C[NH2+]CC3=CC4=NSN=C4C=C3)O

InChI

InChI=1S/C21H26N4O3S/c26-18(14-25-6-8-27-9-7-25)15-28-19-3-1-2-16(10-19)12-22-13-17-4-5-20-21(11-17)24-29-23-20/h1-5,10-11,18,22,26H,6-9,12-15H2/p+1/t18-/m0/s1