2-[1-[1-(thian-4-yl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium

Systemtic Name: 2-[1-[1-(thian-4-yl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium Openeye Name: [1-methyl-1-[1-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)triazol-4-yl]ethyl]ammonium CAS Name: 2-[1-[1-(4-thianyl)-4-piperidin-1-iumyl]-4-triazolyl]propan-2-ylammonium IUPAC Name: 2-[1-[1-(thian-4-yl)piperidin-1-ium-4-yl]triazol-4-yl]propan-2-ylazanium Traditional Name: [1-methyl-1-[1-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)triazol-4-yl]ethyl]ammonium Formula: C15H29N5S+2 MolecularWeight: 311.48926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(N=N1)C2CC[NH+](CC2)C3CCSCC3)[NH3+]

Isomeric SMILES

CC(C)(C1=CN(N=N1)C2CC[NH+](CC2)C3CCSCC3)[NH3+]

InChI

InChI=1S/C15H27N5S/c1-15(2,16)14-11-20(18-17-14)13-3-7-19(8-4-13)12-5-9-21-10-6-12/h11-13H,3-10,16H2,1-2H3/p+2