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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(3-pyridylmethyl)-3-piperidyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(3-pyridinylmethyl)-3-piperidinyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]piperazin-1-ium Traditional Name: 1-piperonyl-4-[(3S)-1-(3-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=CN=CC=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2/c1-3-20(14-24-7-1)16-26-8-2-4-21(17-26)27-11-9-25(10-12-27)15-19-5-6-22-23(13-19)29-18-28-22/h1,3,5-7,13-14,21H,2,4,8-12,15-18H2/p+1/t21-/m0/s1