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

Systemtic Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(CNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H28N2O4S/c1-22(2,24-11-10-17-6-3-4-7-18(17)15-24)16-23-29(25,26)19-8-9-20-21(14-19)28-13-5-12-27-20/h3-4,6-9,14,23H,5,10-13,15-16H2,1-2H3/p+1