N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-thioxo-1H-pyridine-3-carboxamide CAS Name: N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide IUPAC Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-thioxo-1H-pyridine-3-carboxamide Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CC=CNC3=S

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CC=CNC3=S

InChI

InChI=1S/C17H19N3OS/c21-16(15-4-3-9-18-17(15)22)19-14-7-5-13(6-8-14)12-20-10-1-2-11-20/h3-9H,1-2,10-12H2,(H,18,22)(H,19,21)/p+1