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

Systemtic Name: (4-methoxy-3-methyl-phenyl)methyl-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: (4-methoxy-3-methyl-phenyl)methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: (4-methoxy-3-methylphenyl)methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]ammonium IUPAC Name: (4-methoxy-3-methylphenyl)methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: (4-methoxy-3-methyl-benzyl)-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH2+]CCN2C=C(N=N2)C(=O)N3CCSCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH2+]CCN2C=C(N=N2)C(=O)N3CCSCC3)OC

InChI

InChI=1S/C18H25N5O2S/c1-14-11-15(3-4-17(14)25-2)12-19-5-6-23-13-16(20-21-23)18(24)22-7-9-26-10-8-22/h3-4,11,13,19H,5-10,12H2,1-2H3/p+1