N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=NN=C(S1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-15-24-25-21(28-15)18-5-2-6-19(12-18)23-20(27)17-7-10-26(11-8-17)14-16-4-3-9-22-13-16/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,23,27)/p+1