N-(4-bromophenyl)-1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-bromophenyl)-1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: N-(4-bromophenyl)-1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-(4-bromophenyl)-1-(5-cyano-2-pyridin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: N-(4-bromophenyl)-1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromophenyl)-1-(5-cyanopyridin-1-ium-2-yl)isonipecotamide Formula: C18H18BrN4O+ MolecularWeight: 386.26572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)Br)C3=[NH+]C=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)Br)C3=[NH+]C=C(C=C3)C#N

InChI

InChI=1S/C18H17BrN4O/c19-15-2-4-16(5-3-15)22-18(24)14-7-9-23(10-8-14)17-6-1-13(11-20)12-21-17/h1-6,12,14H,7-10H2,(H,22,24)/p+1