N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(2R)-4-methyl-2-(4-morpholin-4-iumyl)pentyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2R)-4-methyl-2-morpholin-4-ium-4-ylpentyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H31N2O5S+ MolecularWeight: 399.52484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)C[C@H](CNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2)[NH+]3CCOCC3

InChI

InChI=1S/C19H30N2O5S/c1-15(2)12-16(21-6-10-24-11-7-21)14-20-27(22,23)17-4-5-18-19(13-17)26-9-3-8-25-18/h4-5,13,15-16,20H,3,6-12,14H2,1-2H3/p+1/t16-/m1/s1