1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methylpropyl)piperazin-4-ium

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methylpropyl)piperazin-4-ium Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-isobutyl-piperazin-4-ium CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methylpropyl)piperazin-4-ium IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(2-methylpropyl)piperazin-4-ium Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-isobutyl-piperazin-4-ium Formula: C17H27N2O2+ MolecularWeight: 291.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C[NH+]1CCN(CC1)C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H26N2O2/c1-14(2)11-18-7-9-19(10-8-18)12-15-13-20-16-5-3-4-6-17(16)21-15/h3-6,14-15H,7-13H2,1-2H3/p+1/t15-/m0/s1