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

Systemtic Name: 5-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-yl]methyl]pyrimidin-2-amine Openeye Name: 5-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-piperidyl]methyl]pyrimidin-2-amine CAS Name: 5-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-piperidinyl]methyl]-2-pyrimidinamine IUPAC Name: 5-[[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]piperidin-1-yl]methyl]pyrimidin-2-amine Traditional Name: [5-[[(3S)-3-(4-piperonylpiperazin-4-ium-1-yl)piperidino]methyl]pyrimidin-2-yl]amine Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CN=C(N=C2)N)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CN=C(N=C2)N)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H30N6O2/c23-22-24-11-18(12-25-22)14-27-5-1-2-19(15-27)28-8-6-26(7-9-28)13-17-3-4-20-21(10-17)30-16-29-20/h3-4,10-12,19H,1-2,5-9,13-16H2,(H2,23,24,25)/p+1/t19-/m0/s1