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

Systemtic Name: (5-chloranylthiophen-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-2-thienyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-thiophenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chlorothiophen-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-2-thienyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C18H20ClN2OS+ MolecularWeight: 347.8822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H19ClN2OS/c19-17-9-8-16(23-17)18(22)21-13-11-20(12-14-21)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2/p+1/b7-4+