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

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone chloride Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone chloride CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone chloride IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone chloride Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone chloride Formula: C18H21ClN2OS MolecularWeight: 348.89014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC=CS3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=CS3.[Cl-]

InChI

InChI=1S/C18H20N2OS.ClH/c21-18(17-9-5-15-22-17)20-13-11-19(12-14-20)10-4-8-16-6-2-1-3-7-16;/h1-9,15H,10-14H2;1H/b8-4+;