1-(1,3-benzodioxol-5-ylmethyl)-4-[(6-chloranylpyridin-3-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(6-chloranylpyridin-3-yl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(6-chloro-3-pyridyl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(6-chloro-3-pyridinyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(6-chloropyridin-3-yl)methyl]piperazin-4-ium Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-4-piperonyl-piperazin-1-ium Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=C(C=C2)Cl)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20ClN3O2/c19-18-4-2-15(10-20-18)12-22-7-5-21(6-8-22)11-14-1-3-16-17(9-14)24-13-23-16/h1-4,9-10H,5-8,11-13H2/p+1