2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C17H26N6O+2 MolecularWeight: 330.42794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H24N6O/c1-13-17(14(2)21(3)20-13)19-16(24)12-22-8-10-23(11-9-22)15-6-4-5-7-18-15/h4-7H,8-12H2,1-3H3,(H,19,24)/p+2