3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)propanamide

Systemtic Name: 3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)propanamide Openeye Name: 3-[5-(m-tolylmethyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)propanamide CAS Name: 3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)propanamide Traditional Name: 3-[5-(3-methylbenzyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)propionamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=NN=C(O2)CCC(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CC2=NN=C(O2)CCC(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C20H28N4O2/c1-16-6-5-7-17(14-16)15-20-23-22-19(26-20)9-8-18(25)21-10-13-24-11-3-2-4-12-24/h5-7,14H,2-4,8-13,15H2,1H3,(H,21,25)/p+1