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

Systemtic Name: (3-ethoxy-2-oxidanyl-phenyl)methyl-methyl-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: (3-ethoxy-2-hydroxy-phenyl)methyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: (3-ethoxy-2-hydroxyphenyl)methyl-methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]ammonium IUPAC Name: (3-ethoxy-2-hydroxyphenyl)methyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: (3-ethoxy-2-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=CC=CC(=C1O)C[NH+](C)CCN2C=C(N=N2)C(=O)N3CCSCC3

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+](C)CCN2C=C(N=N2)C(=O)N3CCSCC3

InChI

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