3,4,5-trimethoxy-N-[5-(2-pyrrolidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[5-(2-pyrrolidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[5-(2-pyrrolidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3,4,5-trimethoxy-N-[5-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[5-(2-pyrrolidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[5-(2-pyrrolidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)CC[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)CC[NH+]3CCCC3

InChI

InChI=1S/C18H24N4O4S/c1-24-13-10-12(11-14(25-2)16(13)26-3)17(23)19-18-21-20-15(27-18)6-9-22-7-4-5-8-22/h10-11H,4-9H2,1-3H3,(H,19,21,23)/p+1