N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-nitro-pyridin-2-amine

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-nitro-pyridin-2-amine Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-nitro-pyridin-2-amine CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-3-nitro-2-pyridinamine IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-3-nitropyridin-2-amine Traditional Name: [4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-(3-nitro-2-pyridyl)amine Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC3=C(C=CC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC3=C(C=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H23N5O2/c1-3-21-9-11-22(12-10-21)15-6-7-16(14(2)13-15)20-18-17(23(24)25)5-4-8-19-18/h4-8,13H,3,9-12H2,1-2H3,(H,19,20)/p+1