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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(4-pyridylmethyl)-3-piperidyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(pyridin-4-ylmethyl)-3-piperidinyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]piperazin-1-ium Traditional Name: 1-piperonyl-4-[(3S)-1-(4-pyridylmethyl)-3-piperidyl]piperazin-1-ium Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2/c1-2-21(17-26(9-1)15-19-5-7-24-8-6-19)27-12-10-25(11-13-27)16-20-3-4-22-23(14-20)29-18-28-22/h3-8,14,21H,1-2,9-13,15-18H2/p+1/t21-/m0/s1