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

Systemtic Name: 4-[4-(4-methoxyphenyl)-1,2,3-triazol-1-yl]-1-[(3S)-thiolan-3-yl]piperidin-1-ium Openeye Name: 4-[4-(4-methoxyphenyl)triazol-1-yl]-1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium CAS Name: 4-[4-(4-methoxyphenyl)-1-triazolyl]-1-[(3S)-3-thiolanyl]piperidin-1-ium IUPAC Name: 4-[4-(4-methoxyphenyl)triazol-1-yl]-1-[(3S)-thiolan-3-yl]piperidin-1-ium Traditional Name: 4-[4-(4-methoxyphenyl)triazol-1-yl]-1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN(N=N2)C3CC[NH+](CC3)C4CCSC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN(N=N2)C3CC[NH+](CC3)[C@H]4CCSC4

InChI

InChI=1S/C18H24N4OS/c1-23-17-4-2-14(3-5-17)18-12-22(20-19-18)15-6-9-21(10-7-15)16-8-11-24-13-16/h2-5,12,15-16H,6-11,13H2,1H3/p+1/t16-/m0/s1