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

Systemtic Name: methyl-(1-phenethylpiperidin-1-ium-4-yl)-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: methyl-(1-phenethylpiperidin-1-ium-4-yl)-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]-(1-phenethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: methyl-(1-phenethylpiperidin-1-ium-4-yl)-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: methyl-(1-phenethylpiperidin-1-ium-4-yl)-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C23H36N6OS+2 MolecularWeight: 444.63654

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=C(N=N1)C(=O)N2CCSCC2)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCN1C=C(N=N1)C(=O)N2CCSCC2)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H34N6OS/c1-26(21-8-11-27(12-9-21)10-7-20-5-3-2-4-6-20)13-14-29-19-22(24-25-29)23(30)28-15-17-31-18-16-28/h2-6,19,21H,7-18H2,1H3/p+2