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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(4-thiomorpholin-4-ylcarbonyl-1,2,3-triazol-1-yl)ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-[oxo(thiomorpholin-4-yl)methyl]-1-triazolyl]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[4-(thiomorpholine-4-carbonyl)triazol-1-yl]ethyl]ammonium Formula: C18H23N6OS2+ MolecularWeight: 403.54482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=C(N=N1)C(=O)N2CCSCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CCN1C=C(N=N1)C(=O)N2CCSCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H22N6OS2/c1-22(13-17-19-14-4-2-3-5-16(14)27-17)6-7-24-12-15(20-21-24)18(25)23-8-10-26-11-9-23/h2-5,12H,6-11,13H2,1H3/p+1