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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-(4-methyl-4-piperonyl-piperazin-4-ium-1-yl)pyrimidine Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC=CC=N2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC=CC=N2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N4O2/c1-21(12-14-3-4-15-16(11-14)23-13-22-15)9-7-20(8-10-21)17-18-5-2-6-19-17/h2-6,11H,7-10,12-13H2,1H3/q+1