1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-piperidin-1-ium-1-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-piperidin-1-ium-1-ylethyl)piperidine-4-carboxamide Openeye Name: N-(2-piperidin-1-ium-1-ylethyl)-1-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide CAS Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(1-piperidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-piperidin-1-ium-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-N-(2-piperidin-1-ium-1-ylethyl)isonipecotamide Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCC(CC3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCC(CC3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C23H33N5OS/c1-18-5-7-19(8-6-18)17-21-25-23(30-26-21)28-14-9-20(10-15-28)22(29)24-11-16-27-12-3-2-4-13-27/h5-8,20H,2-4,9-17H2,1H3,(H,24,29)/p+1