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

Systemtic Name: methyl-(3-phenylpropyl)-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: methyl-(3-phenylpropyl)-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]-(3-phenylpropyl)ammonium IUPAC Name: methyl-(3-phenylpropyl)-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: methyl-(3-phenylpropyl)-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC1=CC=CC=C1)CCN2C=C(N=N2)C(=O)N3CCSCC3

Isomeric SMILES

C[NH+](CCCC1=CC=CC=C1)CCN2C=C(N=N2)C(=O)N3CCSCC3

InChI

InChI=1S/C19H27N5OS/c1-22(9-5-8-17-6-3-2-4-7-17)10-11-24-16-18(20-21-24)19(25)23-12-14-26-15-13-23/h2-4,6-7,16H,5,8-15H2,1H3/p+1