[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C24H31N4O5S+ MolecularWeight: 487.59174

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=[NH+]C=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=[NH+]C=C5)OC1

InChI

InChI=1S/C24H30N4O5S/c29-24(27-14-12-26(13-15-27)20-4-8-25-9-5-20)19-6-10-28(11-7-19)34(30,31)21-2-3-22-23(18-21)33-17-1-16-32-22/h2-5,8-9,18-19H,1,6-7,10-17H2/p+1