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

Systemtic Name: (4-dimethylaminophenyl)methyl-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C18H27N6OS+ MolecularWeight: 375.51158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6OS/c1-22(2)16-5-3-15(4-6-16)13-19-7-8-24-14-17(20-21-24)18(25)23-9-11-26-12-10-23/h3-6,14,19H,7-13H2,1-2H3/p+1