3-phenethyl-5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-phenethyl-5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-phenethyl-5-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-phenethyl-5-[(4-pyridin-4-yl-1-piperidin-1-iumyl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenethyl-5-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-phenethyl-5-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=NC=C2)CC3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=CC=NC=C2)CC3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O/c1-2-4-17(5-3-1)6-7-20-23-21(26-24-20)16-25-14-10-19(11-15-25)18-8-12-22-13-9-18/h1-5,8-9,12-13,19H,6-7,10-11,14-16H2/p+1