N-methyl-2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: N-methyl-2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-methyl-2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-methyl-2-[4-(5-nitro-2-pyridinyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-methyl-2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-methyl-2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3/c1-20(15-5-3-2-4-6-15)18(24)14-21-9-11-22(12-10-21)17-8-7-16(13-19-17)23(25)26/h2-8,13H,9-12,14H2,1H3/p+1