1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methyleneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-(4-fluorobenzylidene)amino]piperidin-1-ium-4-carboxamide Formula: C20H22BrFN3O+ MolecularWeight: 419.310583

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NN=CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)N/N=C\C2=CC=C(C=C2)F)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrFN3O/c21-18-5-1-16(2-6-18)14-25-11-9-17(10-12-25)20(26)24-23-13-15-3-7-19(22)8-4-15/h1-8,13,17H,9-12,14H2,(H,24,26)/p+1/b23-13-