6-chloranyl-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioyl-pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbothioyl-pyridine-3-carboxamide Openeye Name: 6-chloro-N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioyl]nicotinamide Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c21-18-9-8-17(15-22-18)19(26)23-20(27)25-13-11-24(12-14-25)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2,(H,23,26,27)/p+1/b7-4+