N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-pyrrolidin-1-ium-1-yl-propanamide CAS Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-3-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: N-(piazthiol-5-ylmethyl)-3-pyrrolidin-1-ium-1-yl-propionamide Formula: C14H19N4OS+ MolecularWeight: 291.39186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCC(=O)NCC2=CC3=NSN=C3C=C2

Isomeric SMILES

C1CC[NH+](C1)CCC(=O)NCC2=CC3=NSN=C3C=C2

InChI

InChI=1S/C14H18N4OS/c19-14(5-8-18-6-1-2-7-18)15-10-11-3-4-12-13(9-11)17-20-16-12/h3-4,9H,1-2,5-8,10H2,(H,15,19)/p+1