2-[4-[(2-methyl-5-propyl-pyrazol-3-yl)methyl]piperazin-4-ium-1-yl]pyrazine

Systemtic Name: 2-[4-[(2-methyl-5-propyl-pyrazol-3-yl)methyl]piperazin-4-ium-1-yl]pyrazine Openeye Name: 2-[4-[(2-methyl-5-propyl-pyrazol-3-yl)methyl]piperazin-4-ium-1-yl]pyrazine CAS Name: 2-[4-[(2-methyl-5-propyl-3-pyrazolyl)methyl]-1-piperazin-4-iumyl]pyrazine IUPAC Name: 2-[4-[(2-methyl-5-propylpyrazol-3-yl)methyl]piperazin-4-ium-1-yl]pyrazine Traditional Name: 2-[4-[(2-methyl-5-propyl-pyrazol-3-yl)methyl]piperazin-4-ium-1-yl]pyrazine Formula: C16H25N6+ MolecularWeight: 301.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C[NH+]2CCN(CC2)C3=NC=CN=C3)C

Isomeric SMILES

CCCC1=NN(C(=C1)C[NH+]2CCN(CC2)C3=NC=CN=C3)C

InChI

InChI=1S/C16H24N6/c1-3-4-14-11-15(20(2)19-14)13-21-7-9-22(10-8-21)16-12-17-5-6-18-16/h5-6,11-12H,3-4,7-10,13H2,1-2H3/p+1