2-[1-[1-(1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]ethanol

Systemtic Name: 2-[1-[1-(1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]ethanol Openeye Name: 2-[1-[1-(benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]ethanol CAS Name: 2-[1-[1-(5-benzofuranylmethyl)-4-piperidin-1-iumyl]-4-triazolyl]ethanol IUPAC Name: 2-[1-[1-(1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]ethanol Traditional Name: 2-[1-[1-(benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]ethanol Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)CCO)CC3=CC4=C(C=C3)OC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)CCO)CC3=CC4=C(C=C3)OC=C4

InChI

InChI=1S/C18H22N4O2/c23-9-5-16-13-22(20-19-16)17-3-7-21(8-4-17)12-14-1-2-18-15(11-14)6-10-24-18/h1-2,6,10-11,13,17,23H,3-5,7-9,12H2/p+1