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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-isopropyl-piperazin-4-ium CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-isopropyl-piperazin-4-ium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-13(2)18-9-7-17(8-10-18)11-14-12-19-15-5-3-4-6-16(15)20-14/h3-6,13-14H,7-12H2,1-2H3/p+1/t14-/m0/s1