2-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoranyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoranyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-(4-ethyl-1-piperazin-4-iumyl)-4-fluoro-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-4-fluoro-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-])F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C(=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H25FN4O2/c1-2-23-9-11-24(12-10-23)19-14-20(21(26(27)28)13-18(19)22)25-8-7-16-5-3-4-6-17(16)15-25/h3-6,13-14H,2,7-12,15H2,1H3/p+1