3-[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[4-(1-methyl-4-pyrazolyl)-2-pyrimidinyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propionamide Formula: C15H22N7O+ MolecularWeight: 316.38148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC(=NC=C2)N3CC[NH+](CC3)CCC(=O)N

Isomeric SMILES

CN1C=C(C=N1)C2=NC(=NC=C2)N3CC[NH+](CC3)CCC(=O)N

InChI

InChI=1S/C15H21N7O/c1-20-11-12(10-18-20)13-2-4-17-15(19-13)22-8-6-21(7-9-22)5-3-14(16)23/h2,4,10-11H,3,5-9H2,1H3,(H2,16,23)/p+1