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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-2-3-8-18-9-11-19(12-10-18)13-15-14-20-16-6-4-5-7-17(16)21-15/h4-7,15H,2-3,8-14H2,1H3/p+1/t15-/m1/s1