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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methoxy-pyrimidine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methoxy-pyrimidine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-methoxypyrimidine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-methoxypyrimidine Traditional Name: 4-methoxy-2-(4-piperonylpiperazin-4-ium-1-yl)pyrimidine Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=NC(=NC=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N4O3/c1-22-16-4-5-18-17(19-16)21-8-6-20(7-9-21)11-13-2-3-14-15(10-13)24-12-23-14/h2-5,10H,6-9,11-12H2,1H3/p+1