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

Systemtic Name: 3-(2-chloranylpyridin-3-yl)-5-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(2-chloro-3-pyridyl)-5-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(2-chloro-3-pyridinyl)-5-[[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-chloropyridin-3-yl)-5-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(2-chloro-3-pyridyl)-5-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C18H26ClN5O+2 MolecularWeight: 363.88494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=NC(=NO3)C4=C(N=CC=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)C2CC[NH+](CC2)CC3=NC(=NO3)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C18H24ClN5O/c19-17-15(5-4-8-20-17)18-21-16(25-22-18)13-23-11-6-14(7-12-23)24-9-2-1-3-10-24/h4-5,8,14H,1-3,6-7,9-13H2/p+2