3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,3-thiazol-2-one

Systemtic Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,3-thiazol-2-one Openeye Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-thiazol-2-one CAS Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-4-methyl-2-thiazolone IUPAC Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,3-thiazol-2-one Traditional Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-4-thiazolin-2-one Formula: C18H24N3O5S2+ MolecularWeight: 426.53026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CSC(=O)N1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H23N3O5S2/c1-14-12-27-18(22)21(14)13-19-5-7-20(8-6-19)28(23,24)15-3-4-16-17(11-15)26-10-2-9-25-16/h3-4,11-12H,2,5-10,13H2,1H3/p+1