(2-chloranylpyridin-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-chloranylpyridin-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-chloro-3-pyridyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-chloro-3-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-chloropyridin-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-chloro-3-pyridyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C19H21ClN3O+ MolecularWeight: 342.84254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O/c20-18-17(9-4-10-21-18)19(24)23-14-12-22(13-15-23)11-5-8-16-6-2-1-3-7-16/h1-10H,11-15H2/p+1/b8-5+