5-(azepan-1-ium-1-ylmethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-(azepan-1-ium-1-ylmethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-(azepan-1-ium-1-ylmethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-(1-azepan-1-iumylmethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-(azepan-1-ium-1-ylmethyl)-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-(azepan-1-ium-1-ylmethyl)-N-(4-fluorobenzyl)-1,3,4-thiadiazole-2-carboxamide Formula: C17H22FN4OS+ MolecularWeight: 349.446183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NN=C(S2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NN=C(S2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4OS/c18-14-7-5-13(6-8-14)11-19-16(23)17-21-20-15(24-17)12-22-9-3-1-2-4-10-22/h5-8H,1-4,9-12H2,(H,19,23)/p+1