1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]piperazin-4-ium Traditional Name: 1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidyl]-4-piperonyl-piperazin-1-ium Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C3C(=CC=C2)OCO3)[NH+]4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=C3C(=CC=C2)OCO3)[NH+]4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H31N3O4/c1-3-20(25-23(5-1)30-18-32-25)15-27-8-2-4-21(16-27)28-11-9-26(10-12-28)14-19-6-7-22-24(13-19)31-17-29-22/h1,3,5-7,13,21H,2,4,8-12,14-18H2/p+1/t21-/m0/s1