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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C17H22N4OS/c1-2-15-19-20-17(23-15)18-16(22)14-8-6-13(7-9-14)12-21-10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H,18,20,22)/p+1