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

Systemtic Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Openeye Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide CAS Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)piperidine-4-carboxamide Traditional Name: 1-(3-m-anisyl-1,2,4-thiadiazol-5-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)isonipecotamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCC(CC3)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCC(CC3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C22H31N5O2S/c1-29-19-6-4-5-17(15-19)16-20-24-22(30-25-20)27-12-7-18(8-13-27)21(28)23-9-14-26-10-2-3-11-26/h4-6,15,18H,2-3,7-14,16H2,1H3,(H,23,28)/p+1