2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C24H30N3O5S+ MolecularWeight: 472.5771

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H29N3O5S/c28-24(27-10-3-6-19-5-1-2-7-21(19)27)18-25-11-13-26(14-12-25)33(29,30)20-8-9-22-23(17-20)32-16-4-15-31-22/h1-2,5,7-9,17H,3-4,6,10-16,18H2/p+1