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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C17H23N4OS2+ MolecularWeight: 363.52072

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C17H22N4OS2/c1-2-23-17-20-19-16(24-17)18-15(22)14-8-6-13(7-9-14)12-21-10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H,18,19,22)/p+1