N-(2-cyanoethyl)-N-methyl-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[4-(6-nitro-3-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-methyl-2-[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C15H21N6O3+ MolecularWeight: 333.36564

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C[NH+]1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C(=O)C[NH+]1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O3/c1-18(6-2-5-16)15(22)12-19-7-9-20(10-8-19)13-3-4-14(17-11-13)21(23)24/h3-4,11H,2,6-10,12H2,1H3/p+1