N-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-fluorophenyl)-4-(2-thienylmethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(4-fluorophenyl)-4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-(2-thenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C17H21FN3OS+ MolecularWeight: 334.431543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC=C(C=C2)F)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC=C(C=C2)F)CC3=CC=CS3

InChI

InChI=1S/C17H20FN3OS/c18-14-4-6-15(7-5-14)19-17(22)21-9-2-8-20(10-11-21)13-16-3-1-12-23-16/h1,3-7,12H,2,8-11,13H2,(H,19,22)/p+1