1-(5-nitropyridin-1-ium-2-yl)-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)-4-phenethyl-piperazin-4-ium Openeye Name: 1-(5-nitropyridin-1-ium-2-yl)-4-phenethyl-piperazin-4-ium CAS Name: 1-(5-nitro-2-pyridin-1-iumyl)-4-phenethylpiperazin-4-ium IUPAC Name: 1-(5-nitropyridin-1-ium-2-yl)-4-phenethylpiperazin-4-ium Traditional Name: 1-(5-nitropyridin-1-ium-2-yl)-4-phenethyl-piperazin-4-ium Formula: C17H22N4O2+2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2/c22-21(23)16-6-7-17(18-14-16)20-12-10-19(11-13-20)9-8-15-4-2-1-3-5-15/h1-7,14H,8-13H2/p+2