4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine-1,4-diium-1-yl]-1-phenyl-butan-1-one

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine-1,4-diium-1-yl]-1-phenyl-butan-1-one Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine-1,4-diium-1-yl]-1-phenyl-butan-1-one CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazine-1,4-diiumyl]-1-phenyl-1-butanone IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine-1,4-diium-1-yl]-1-phenylbutan-1-one Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine-1,4-diium-1-yl]-1-phenyl-butan-1-one Formula: C22H28N2O3+2 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCC(=O)C2=CC=CC=C2)C3=C4C(=CC=C3)OCCO4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCC(=O)C2=CC=CC=C2)C3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C22H26N2O3/c25-20(18-6-2-1-3-7-18)9-5-11-23-12-14-24(15-13-23)19-8-4-10-21-22(19)27-17-16-26-21/h1-4,6-8,10H,5,9,11-17H2/p+2