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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-pyrazin-2-yl-methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-pyrazin-2-yl-methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-pyrazinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-pyrazin-2-ylmethanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-pyrazin-2-yl-methanone Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c22-17(14-10-18-3-4-19-14)21-7-5-20(6-8-21)11-13-1-2-15-16(9-13)24-12-23-15/h1-4,9-10H,5-8,11-12H2/p+1