(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(piperidin-1-ium-1-ylmethyl)benzoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(piperidin-1-ium-1-ylmethyl)benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-(piperidin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-piperidin-1-iumylmethyl)benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-(piperidin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H21N3O3S/c24-20(25-14-18-21-19(22-26-18)17-5-4-12-27-17)16-8-6-15(7-9-16)13-23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13-14H2/p+1