1-(1,3-benzodioxol-5-ylmethyl)-4-[[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]methyl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]methyl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[(1S)-6,7-dimethoxyisochroman-1-yl]methyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[(1S)-6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]methyl]piperazin-1-ium Traditional Name: 1-[[(1S)-6,7-dimethoxyisochroman-1-yl]methyl]-4-piperonyl-piperazin-4-ium Formula: C24H31N2O5+ MolecularWeight: 427.51334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(OCCC2=C1)CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](OCCC2=C1)CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C24H30N2O5/c1-27-21-12-18-5-10-29-24(19(18)13-22(21)28-2)15-26-8-6-25(7-9-26)14-17-3-4-20-23(11-17)31-16-30-20/h3-4,11-13,24H,5-10,14-16H2,1-2H3/p+1/t24-/m1/s1