N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C16H27N3O4S+2 MolecularWeight: 357.46828

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H25N3O4S/c1-18-7-9-19(10-8-18)6-2-5-17-24(20,21)14-3-4-15-16(13-14)23-12-11-22-15/h3-4,13,17H,2,5-12H2,1H3/p+2