1,4-bis[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]piperazin-1-ium

Systemtic Name: 1,4-bis[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]piperazin-1-ium Openeye Name: 1,4-bis[[(1S)-isochroman-1-yl]methyl]piperazin-1-ium CAS Name: 1,4-bis[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]piperazin-1-ium IUPAC Name: 1,4-bis[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]piperazin-1-ium Traditional Name: 1,4-bis[[(1S)-isochroman-1-yl]methyl]piperazin-1-ium Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C[NH+]3CCN(CC3)CC4C5=CC=CC=C5CCO4

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)C[NH+]3CCN(CC3)C[C@@H]4C5=CC=CC=C5CCO4

InChI

InChI=1S/C24H30N2O2/c1-3-7-21-19(5-1)9-15-27-23(21)17-25-11-13-26(14-12-25)18-24-22-8-4-2-6-20(22)10-16-28-24/h1-8,23-24H,9-18H2/p+1/t23-,24-/m1/s1