2-[4-(2-fluorophenyl)piperazin-1-yl]-5,7-dimethoxy-4-methyl-quinolin-1-ium

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5,7-dimethoxy-4-methyl-quinolin-1-ium Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5,7-dimethoxy-4-methyl-quinolin-1-ium CAS Name: 2-[4-(2-fluorophenyl)-1-piperazinyl]-5,7-dimethoxy-4-methylquinolin-1-ium IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-5,7-dimethoxy-4-methylquinolin-1-ium Traditional Name: 2-[4-(2-fluorophenyl)piperazino]-5,7-dimethoxy-4-methyl-quinolin-1-ium Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC(=CC(=C12)OC)OC)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=[NH+]C2=CC(=CC(=C12)OC)OC)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H24FN3O2/c1-15-12-21(24-18-13-16(27-2)14-20(28-3)22(15)18)26-10-8-25(9-11-26)19-7-5-4-6-17(19)23/h4-7,12-14H,8-11H2,1-3H3/p+1