2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-6-nitro-quinoline

Systemtic Name: 2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-6-nitro-quinoline Openeye Name: 2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-6-nitro-quinoline CAS Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-6-nitroquinoline IUPAC Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-6-nitroquinoline Traditional Name: 2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-6-nitro-quinoline Formula: C21H22FN4O3+ MolecularWeight: 397.422783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC4=C(C=C3)C=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H21FN4O3/c1-29-20-6-2-15(12-18(20)22)14-24-8-10-25(11-9-24)21-7-3-16-13-17(26(27)28)4-5-19(16)23-21/h2-7,12-13H,8-11,14H2,1H3/p+1