1-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-propyl-piperazine-1,4-diium

Systemtic Name: 1-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-propyl-piperazine-1,4-diium Openeye Name: 1-[[(1R)-isochroman-1-yl]methyl]-4-propyl-piperazine-1,4-diium CAS Name: 1-[[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-4-propylpiperazine-1,4-diium IUPAC Name: 1-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-propylpiperazine-1,4-diium Traditional Name: 1-[[(1R)-isochroman-1-yl]methyl]-4-propyl-piperazine-1,4-diium Formula: C17H28N2O+2 MolecularWeight: 276.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC[NH+](CC1)CC2C3=CC=CC=C3CCO2

Isomeric SMILES

CCC[NH+]1CC[NH+](CC1)C[C@H]2C3=CC=CC=C3CCO2

InChI

InChI=1S/C17H26N2O/c1-2-8-18-9-11-19(12-10-18)14-17-16-6-4-3-5-15(16)7-13-20-17/h3-6,17H,2,7-14H2,1H3/p+2/t17-/m0/s1