2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-ethoxy-6-methyl-pyrimidine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-ethoxy-6-methyl-pyrimidine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-ethoxy-6-methyl-pyrimidine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-ethoxy-6-methylpyrimidine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-ethoxy-6-methylpyrimidine Traditional Name: 4-ethoxy-6-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)pyrimidine Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)C)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=NC(=NC(=C1)C)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H24N4O3/c1-3-24-18-10-14(2)20-19(21-18)23-8-6-22(7-9-23)12-15-4-5-16-17(11-15)26-13-25-16/h4-5,10-11H,3,6-9,12-13H2,1-2H3/p+1