4-(3-cyanopyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carboxamide CAS Name: 4-(3-cyano-2-pyridin-1-iumyl)-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-phenylpiperazine-1-carboxamide Traditional Name: 4-(3-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=C(C=CC=[NH+]2)C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)NC3=CC=CC=C3

InChI

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