[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]ammonium IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[2-keto-2-(4-mesylpiperazino)ethyl]-methyl-ammonium Formula: C17H26N3O5S+ MolecularWeight: 384.47044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COC2=CC=CC=C2O1)CC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

C[NH+](C[C@@H]1COC2=CC=CC=C2O1)CC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O5S/c1-18(11-14-13-24-15-5-3-4-6-16(15)25-14)12-17(21)19-7-9-20(10-8-19)26(2,22)23/h3-6,14H,7-13H2,1-2H3/p+1/t14-/m1/s1