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

Systemtic Name: (4-ethyl-5-methyl-thiophen-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(4-ethyl-5-methyl-2-thienyl)methanone CAS Name: (4-ethyl-5-methyl-2-thiophenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethyl-5-methylthiophen-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(4-ethyl-5-methyl-2-thienyl)methanone Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2OS/c1-3-19-16-20(25-17(19)2)21(24)23-14-12-22(13-15-23)11-7-10-18-8-5-4-6-9-18/h4-10,16H,3,11-15H2,1-2H3/p+1/b10-7+