4-(5-cyanopyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide CAS Name: 4-(5-cyano-2-pyridin-1-iumyl)-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-phenylpiperazine-1-carboxamide Traditional Name: 4-(5-cyanopyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide Formula: C17H18N5O+ MolecularWeight: 308.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H17N5O/c18-12-14-6-7-16(19-13-14)21-8-10-22(11-9-21)17(23)20-15-4-2-1-3-5-15/h1-7,13H,8-11H2,(H,20,23)/p+1