4,5-dimethyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C22H30N4O2S+2 MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C22H28N4O2S/c1-16-17(2)29-22(20(16)21(23)28)24-19(27)15-26-13-11-25(12-14-26)10-6-9-18-7-4-3-5-8-18/h3-9H,10-15H2,1-2H3,(H2,23,28)(H,24,27)/p+2/b9-6+