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

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C19H26N4OS/c1-14(2)12-17-21-22-19(25-17)20-18(24)16-8-6-15(7-9-16)13-23-10-4-3-5-11-23/h6-9,14H,3-5,10-13H2,1-2H3,(H,20,22,24)/p+1