ethyl 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-2-28-22(25)20-10-12-21(13-11-20)29(26,27)24-17-15-23(16-18-24)14-6-9-19-7-4-3-5-8-19/h3-13H,2,14-18H2,1H3/p+1/b9-6+