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

Systemtic Name: 4-bromanyl-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[2-(1-piperidin-1-iumyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-(2-piperidin-1-ium-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H20BrN4OS+ MolecularWeight: 396.3252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CC[NH+](CC1)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H19BrN4OS/c17-13-6-4-12(5-7-13)15(22)18-16-20-19-14(23-16)8-11-21-9-2-1-3-10-21/h4-7H,1-3,8-11H2,(H,18,20,22)/p+1