3-[(3-methylphenyl)methyl]-5-(3-piperidin-1-ium-1-ylpropyl)-1,2,4-oxadiazole

Systemtic Name: 3-[(3-methylphenyl)methyl]-5-(3-piperidin-1-ium-1-ylpropyl)-1,2,4-oxadiazole Openeye Name: 3-(m-tolylmethyl)-5-(3-piperidin-1-ium-1-ylpropyl)-1,2,4-oxadiazole CAS Name: 3-[(3-methylphenyl)methyl]-5-[3-(1-piperidin-1-iumyl)propyl]-1,2,4-oxadiazole IUPAC Name: 3-[(3-methylphenyl)methyl]-5-(3-piperidin-1-ium-1-ylpropyl)-1,2,4-oxadiazole Traditional Name: 3-(3-methylbenzyl)-5-(3-piperidin-1-ium-1-ylpropyl)-1,2,4-oxadiazole Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=NOC(=N2)CCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CC2=NOC(=N2)CCC[NH+]3CCCCC3

InChI

InChI=1S/C18H25N3O/c1-15-7-5-8-16(13-15)14-17-19-18(22-20-17)9-6-12-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14H2,1H3/p+1