7-chloranyl-4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]quinolin-1-ium Formula: C21H23ClFN3O+2 MolecularWeight: 387.878223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)F

InChI

InChI=1S/C21H21ClFN3O/c1-27-21-5-2-15(12-18(21)23)14-25-8-10-26(11-9-25)20-6-7-24-19-13-16(22)3-4-17(19)20/h2-7,12-13H,8-11,14H2,1H3/p+2