1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C20H30N3O5S+ MolecularWeight: 424.5343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)N

InChI

InChI=1S/C20H29N3O5S/c21-19(24)20(22-9-2-1-3-10-22)7-11-23(12-8-20)29(25,26)16-5-6-17-18(15-16)28-14-4-13-27-17/h5-6,15H,1-4,7-14H2,(H2,21,24)/p+1