N-(1-cyclopropylpiperidin-1-ium-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(1-cyclopropyl-4-piperidin-1-iumyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H25N2O4S+ MolecularWeight: 353.4564

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3CC[NH+](CC3)C4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3CC[NH+](CC3)C4CC4)OC1

InChI

InChI=1S/C17H24N2O4S/c20-24(21,18-13-6-8-19(9-7-13)14-2-3-14)15-4-5-16-17(12-15)23-11-1-10-22-16/h4-5,12-14,18H,1-3,6-11H2/p+1