2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyrazine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyrazine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyrazine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]pyrazine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyrazine Traditional Name: 2-(4-piperonylpiperazin-4-ium-1-yl)pyrazine Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2/c1-2-14-15(22-12-21-14)9-13(1)11-19-5-7-20(8-6-19)16-10-17-3-4-18-16/h1-4,9-10H,5-8,11-12H2/p+1