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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4,6-dimethyl-pyrimidine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4,6-dimethylpyrimidine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4,6-dimethylpyrimidine Traditional Name: 4,6-dimethyl-2-(4-piperonylpiperazin-4-ium-1-yl)pyrimidine Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H22N4O2/c1-13-9-14(2)20-18(19-13)22-7-5-21(6-8-22)11-15-3-4-16-17(10-15)24-12-23-16/h3-4,9-10H,5-8,11-12H2,1-2H3/p+1