4-[4-(phenylmethyl)-1,2,3-triazol-1-yl]-1-[(3S)-thiolan-3-yl]piperidin-1-ium

Systemtic Name: 4-[4-(phenylmethyl)-1,2,3-triazol-1-yl]-1-[(3S)-thiolan-3-yl]piperidin-1-ium Openeye Name: 4-(4-benzyltriazol-1-yl)-1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium CAS Name: 4-[4-(phenylmethyl)-1-triazolyl]-1-[(3S)-3-thiolanyl]piperidin-1-ium IUPAC Name: 4-(4-benzyltriazol-1-yl)-1-[(3S)-thiolan-3-yl]piperidin-1-ium Traditional Name: 4-(4-benzyltriazol-1-yl)-1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium Formula: C18H25N4S+ MolecularWeight: 329.4829

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)CC3=CC=CC=C3)C4CCSC4

Isomeric SMILES

C1CSC[C@H]1[NH+]2CCC(CC2)N3C=C(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C18H24N4S/c1-2-4-15(5-3-1)12-16-13-22(20-19-16)17-6-9-21(10-7-17)18-8-11-23-14-18/h1-5,13,17-18H,6-12,14H2/p+1/t18-/m0/s1