[4-[[(5-nitropyridin-2-yl)amino]methyl]phenyl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [4-[[(5-nitropyridin-2-yl)amino]methyl]phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: [4-[[(5-nitro-2-pyridyl)amino]methyl]phenyl]-piperazin-4-ium-1-yl-methanone CAS Name: [4-[[(5-nitro-2-pyridinyl)amino]methyl]phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [4-[[(5-nitropyridin-2-yl)amino]methyl]phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: [4-[[(5-nitro-2-pyridyl)amino]methyl]phenyl]-piperazin-4-ium-1-yl-methanone Formula: C17H20N5O3+ MolecularWeight: 342.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC=C(C=C2)CNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC=C(C=C2)CNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3/c23-17(21-9-7-18-8-10-21)14-3-1-13(2-4-14)11-19-16-6-5-15(12-20-16)22(24)25/h1-6,12,18H,7-11H2,(H,19,20)/p+1