2-[4-(4-fluorophenyl)piperazin-1-yl]-5,6,7-trimethoxy-4-methyl-quinolin-1-ium

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5,6,7-trimethoxy-4-methyl-quinolin-1-ium Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5,6,7-trimethoxy-4-methyl-quinolin-1-ium CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-5,6,7-trimethoxy-4-methylquinolin-1-ium IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5,6,7-trimethoxy-4-methylquinolin-1-ium Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-5,6,7-trimethoxy-4-methyl-quinolin-1-ium Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O3/c1-15-13-20(25-18-14-19(28-2)22(29-3)23(30-4)21(15)18)27-11-9-26(10-12-27)17-7-5-16(24)6-8-17/h5-8,13-14H,9-12H2,1-4H3/p+1