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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methyl-piperazin-4-ium CAS Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methylpiperazin-4-ium Traditional Name: 1-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-methyl-piperazin-4-ium Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1