1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(1R)-1-phenylethyl]piperazin-4-ium Formula: C20H25N2O4S+ MolecularWeight: 389.4885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H24N2O4S/c1-16(17-5-3-2-4-6-17)21-9-11-22(12-10-21)27(23,24)18-7-8-19-20(15-18)26-14-13-25-19/h2-8,15-16H,9-14H2,1H3/p+1/t16-/m1/s1