1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)OC1

InChI

InChI=1S/C22H26N2O4S/c25-29(26,20-9-10-21-22(18-20)28-17-5-16-27-21)24-14-12-23(13-15-24)11-4-8-19-6-2-1-3-7-19/h1-4,6-10,18H,5,11-17H2/p+1/b8-4+