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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methyl-piperazine-1,4-diium Formula: C16H22N2O3+2 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/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/p+2