(3-ethoxy-4-oxidanyl-phenyl)methyl-methyl-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium

Systemtic Name: (3-ethoxy-4-oxidanyl-phenyl)methyl-methyl-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: (3-ethoxy-4-hydroxy-phenyl)methyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: (3-ethoxy-4-hydroxyphenyl)methyl-methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]ammonium IUPAC Name: (3-ethoxy-4-hydroxyphenyl)methyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: (3-ethoxy-4-hydroxy-benzyl)-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C19H28N5O3S+ MolecularWeight: 406.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+](C)CCN2C=C(N=N2)C(=O)N3CCSCC3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+](C)CCN2C=C(N=N2)C(=O)N3CCSCC3)O

InChI

InChI=1S/C19H27N5O3S/c1-3-27-18-12-15(4-5-17(18)25)13-22(2)6-7-24-14-16(20-21-24)19(26)23-8-10-28-11-9-23/h4-5,12,14,25H,3,6-11,13H2,1-2H3/p+1