N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C18H28N7O+ MolecularWeight: 358.46122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H27N7O/c1-15-13-16(2)25(22-15)8-4-7-19-17(26)14-23-9-11-24(12-10-23)18-20-5-3-6-21-18/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,19,26)/p+1