5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-4-ium-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-4-ium-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazin-4-iumyl]-8-nitroisoquinoline IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium-1-yl]-8-nitro-isoquinoline Formula: C21H22FN4O3+ MolecularWeight: 397.422783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)F)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)F)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O3/c22-16-1-3-17(4-2-16)29-14-13-24-9-11-25(12-10-24)20-5-6-21(26(27)28)19-15-23-8-7-18(19)20/h1-8,15H,9-14H2/p+1