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

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(coumaran-5-ylmethyl)-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=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=NN=C(S1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C24H26N4O2S/c1-16-26-27-24(31-16)20-3-2-4-21(14-20)25-23(29)18-7-10-28(11-8-18)15-17-5-6-22-19(13-17)9-12-30-22/h2-6,13-14,18H,7-12,15H2,1H3,(H,25,29)/p+1