N-(3-chloranyl-4-cyano-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C17H16ClN4O+ MolecularWeight: 327.78814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C17H15ClN4O/c18-15-10-13(6-5-12(15)11-19)21-17(23)14-4-3-7-20-16(14)22-8-1-2-9-22/h3-7,10H,1-2,8-9H2,(H,21,23)/p+1