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

Systemtic Name: (4-ethoxyphenyl)methyl-methyl-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: (4-ethoxyphenyl)methyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: (4-ethoxyphenyl)methyl-methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]ammonium IUPAC Name: (4-ethoxyphenyl)methyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: (4-ethoxybenzyl)-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2S/c1-3-26-17-6-4-16(5-7-17)14-22(2)8-9-24-15-18(20-21-24)19(25)23-10-12-27-13-11-23/h4-7,15H,3,8-14H2,1-2H3/p+1