methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-26-19(24)18-17(9-15-27-18)21-20(25)23-13-11-22(12-14-23)10-5-8-16-6-3-2-4-7-16/h2-9,15H,10-14H2,1H3,(H,21,25)/p+1/b8-5+