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

Systemtic Name: (3-ethoxy-4-methoxy-phenyl)methyl-methyl-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: (3-ethoxy-4-methoxy-phenyl)methyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: (3-ethoxy-4-methoxyphenyl)methyl-methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]ammonium IUPAC Name: (3-ethoxy-4-methoxyphenyl)methyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: (3-ethoxy-4-methoxy-benzyl)-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C20H30N5O3S+ MolecularWeight: 420.5489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S/c1-4-28-19-13-16(5-6-18(19)27-3)14-23(2)7-8-25-15-17(21-22-25)20(26)24-9-11-29-12-10-24/h5-6,13,15H,4,7-12,14H2,1-3H3/p+1