1-(2-chloranylprop-2-enyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium

Systemtic Name: 1-(2-chloranylprop-2-enyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium Openeye Name: 1-(2-chloroallyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium CAS Name: 1-(2-chloroprop-2-enyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium IUPAC Name: 1-(2-chloroprop-2-enyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium Traditional Name: 1-(2-chloroallyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium Formula: C16H22ClN2O4S+ MolecularWeight: 373.87488

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

Isomeric SMILES

C=C(C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)Cl

InChI

InChI=1S/C16H21ClN2O4S/c1-13(17)12-18-5-7-19(8-6-18)24(20,21)14-3-4-15-16(11-14)23-10-2-9-22-15/h3-4,11H,1-2,5-10,12H2/p+1