N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H28N3O6S+ MolecularWeight: 414.49642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

InChI=1S/C18H27N3O6S/c1-14-4-8-20(9-5-14)7-2-6-19-28(24,25)18-13-17-16(12-15(18)21(22)23)26-10-3-11-27-17/h12-14,19H,2-11H2,1H3/p+1