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

Systemtic Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H30N3O5S+ MolecularWeight: 424.5343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H29N3O5S/c1-21-9-11-22(12-10-21)20(24)16-5-7-23(8-6-16)29(25,26)17-3-4-18-19(15-17)28-14-2-13-27-18/h3-4,15-16H,2,5-14H2,1H3/p+1