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

Systemtic Name: 1-[(3-ethanoylphenyl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-acetylphenyl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-acetylphenyl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-acetylphenyl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-acetylbenzyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C24H27N4O2S+ MolecularWeight: 435.56178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2S/c1-16(29)20-6-3-5-18(13-20)15-28-11-9-19(10-12-28)23(30)25-22-8-4-7-21(14-22)24-27-26-17(2)31-24/h3-8,13-14,19H,9-12,15H2,1-2H3,(H,25,30)/p+1