4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-methoxy-2-methyl-quinolin-1-ium

Systemtic Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-methoxy-2-methyl-quinolin-1-ium Openeye Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-methoxy-2-methyl-quinolin-1-ium CAS Name: 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-6-methoxy-2-methylquinolin-1-ium IUPAC Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-methoxy-2-methylquinolin-1-ium Traditional Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-6-methoxy-2-methyl-quinolin-1-ium Formula: C28H29F2N3O+2 MolecularWeight: 461.546166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)N3CC[NH+](CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H27F2N3O/c1-19-17-27(25-18-24(34-2)11-12-26(25)31-19)32-13-15-33(16-14-32)28(20-3-7-22(29)8-4-20)21-5-9-23(30)10-6-21/h3-12,17-18,28H,13-16H2,1-2H3/p+2