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

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

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

Isomeric SMILES

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

InChI

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