1-[2-(4-methoxyphenoxy)ethyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium Openeye Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(5-nitro-2-pyridyl)piperazin-1-ium CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(5-nitro-2-pyridinyl)piperazin-1-ium IUPAC Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium Traditional Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(5-nitro-2-pyridyl)piperazin-1-ium Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-25-16-3-5-17(6-4-16)26-13-12-20-8-10-21(11-9-20)18-7-2-15(14-19-18)22(23)24/h2-7,14H,8-13H2,1H3/p+1