2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone Formula: C25H30N3O5S+ MolecularWeight: 484.5878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H29N3O5S/c29-25(27-10-8-21(9-11-27)20-4-2-1-3-5-20)19-26-12-14-28(15-13-26)34(30,31)22-6-7-23-24(18-22)33-17-16-32-23/h1-8,18H,9-17,19H2/p+1