1-[(4-ethoxyphenyl)methyl]-4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-(5-nitro-2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-(4-ethoxybenzyl)-4-(5-nitropyridin-1-ium-2-yl)piperazin-1-ium Formula: C18H24N4O3+2 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c1-2-25-17-6-3-15(4-7-17)14-20-9-11-21(12-10-20)18-8-5-16(13-19-18)22(23)24/h3-8,13H,2,9-12,14H2,1H3/p+2