[5-[[4-(4-thiophen-3-yl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]furan-2-yl]methanol

Systemtic Name: [5-[[4-(4-thiophen-3-yl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]furan-2-yl]methanol Openeye Name: [5-[[4-[4-(3-thienyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]-2-furyl]methanol CAS Name: [5-[[4-[4-(3-thiophenyl)-1-triazolyl]-1-piperidin-1-iumyl]methyl]-2-furanyl]methanol IUPAC Name: [5-[[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-ium-1-yl]methyl]furan-2-yl]methanol Traditional Name: [5-[[4-[4-(3-thienyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]-2-furyl]methanol Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C3=CSC=C3)CC4=CC=C(O4)CO

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C3=CSC=C3)CC4=CC=C(O4)CO

InChI

InChI=1S/C17H20N4O2S/c22-11-16-2-1-15(23-16)9-20-6-3-14(4-7-20)21-10-17(18-19-21)13-5-8-24-12-13/h1-2,5,8,10,12,14,22H,3-4,6-7,9,11H2/p+1