1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium dichloride

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium dichloride Openeye Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium dichloride CAS Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methylpiperazine-1,4-diium dichloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methylpiperazine-1,4-diium dichloride Traditional Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium dichloride Formula: C16H22Cl2N2O3 MolecularWeight: 361.26348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC#CCOC2=CC3=C(C=C2)OCO3.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC#CCOC2=CC3=C(C=C2)OCO3.[Cl-].[Cl-]

InChI

InChI=1S/C16H20N2O3.2ClH/c1-17-7-9-18(10-8-17)6-2-3-11-19-14-4-5-15-16(12-14)21-13-20-15;;/h4-5,12H,6-11,13H2,1H3;2*1H