1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C17H20ClN3O2+2 MolecularWeight: 333.8126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H18ClN3O2/c18-14-9-13(10-15-17(14)23-12-22-15)11-20-5-7-21(8-6-20)16-3-1-2-4-19-16/h1-4,9-10H,5-8,11-12H2/p+2