N-(3-morpholin-4-ium-4-ylpropyl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide Openeye Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinecarboxamide IUPAC Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)isonipecotamide Formula: C22H32N5O2S+ MolecularWeight: 430.58678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC[NH+]2CCOCC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCCC[NH+]2CCOCC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H31N5O2S/c28-21(23-9-4-10-26-13-15-29-16-14-26)19-7-11-27(12-8-19)22-24-20(25-30-22)17-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2,(H,23,28)/p+1