5-(4-ethylpiperazin-4-ium-1-yl)-8-nitro-isoquinoline

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)-8-nitro-isoquinoline Openeye Name: 5-(4-ethylpiperazin-4-ium-1-yl)-8-nitro-isoquinoline CAS Name: 5-(4-ethyl-1-piperazin-4-iumyl)-8-nitroisoquinoline IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-yl)-8-nitroisoquinoline Traditional Name: 5-(4-ethylpiperazin-4-ium-1-yl)-8-nitro-isoquinoline Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2/c1-2-17-7-9-18(10-8-17)14-3-4-15(19(20)21)13-11-16-6-5-12(13)14/h3-6,11H,2,7-10H2,1H3/p+1