4-(5-methyl-1-propyl-pyrazol-4-yl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 4-(5-methyl-1-propyl-pyrazol-4-yl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 4-(5-methyl-1-propyl-pyrazol-4-yl)-2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 4-(5-methyl-1-propyl-4-pyrazolyl)-2-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 4-(5-methyl-1-propylpyrazol-4-yl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 4-(5-methyl-1-propyl-pyrazol-4-yl)-2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C20H31N6O+ MolecularWeight: 371.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C2=NC(=NC=C2)N3CC[NH+](CC3)CC4CCCO4)C

Isomeric SMILES

CCCN1C(=C(C=N1)C2=NC(=NC=C2)N3CC[NH+](CC3)C[C@H]4CCCO4)C

InChI

InChI=1S/C20H30N6O/c1-3-8-26-16(2)18(14-22-26)19-6-7-21-20(23-19)25-11-9-24(10-12-25)15-17-5-4-13-27-17/h6-7,14,17H,3-5,8-13,15H2,1-2H3/p+1/t17-/m1/s1