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

Systemtic Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Openeye Name: 1-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide CAS Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)isonipecotamide Formula: C22H32N5OS+ MolecularWeight: 414.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCC(CC3)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCC(CC3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C22H31N5OS/c1-17-4-6-18(7-5-17)16-20-24-22(29-25-20)27-13-8-19(9-14-27)21(28)23-10-15-26-11-2-3-12-26/h4-7,19H,2-3,8-16H2,1H3,(H,23,28)/p+1