2-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-(4-piperonylpiperazin-4-ium-1-yl)piperidin-1-ium-1-yl]methyl]phenol Formula: C24H33N3O3+2 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H31N3O3/c28-22-6-2-1-4-20(22)16-26-9-3-5-21(17-26)27-12-10-25(11-13-27)15-19-7-8-23-24(14-19)30-18-29-23/h1-2,4,6-8,14,21,28H,3,5,9-13,15-18H2/p+2/t21-/m0/s1