N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C16H20N4OS/c1-2-14-18-19-16(22-14)17-15(21)13-7-5-12(6-8-13)11-20-9-3-4-10-20/h5-8H,2-4,9-11H2,1H3,(H,17,19,21)/p+1