[4-(5,8-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone

Systemtic Name: [4-(5,8-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone Openeye Name: [4-(5,8-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone CAS Name: [4-(5,8-dimethoxy-4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-(4-fluorophenyl)methanone IUPAC Name: [4-(5,8-dimethoxy-4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone Traditional Name: [4-(5,8-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperazino]-(4-fluorophenyl)methanone Formula: C23H25FN3O3+ MolecularWeight: 410.461303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C(C=CC(=C12)OC)OC)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=[NH+]C2=C(C=CC(=C12)OC)OC)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN3O3/c1-15-14-20(25-22-19(30-3)9-8-18(29-2)21(15)22)26-10-12-27(13-11-26)23(28)16-4-6-17(24)7-5-16/h4-9,14H,10-13H2,1-3H3/p+1