2-[4-(4-fluorophenyl)piperazin-1-yl]-3,7-dimethyl-quinolin-1-ium

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-3,7-dimethyl-quinolin-1-ium Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-3,7-dimethyl-quinolin-1-ium CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-3,7-dimethylquinolin-1-ium IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-3,7-dimethylquinolin-1-ium Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-3,7-dimethyl-quinolin-1-ium Formula: C21H23FN3+ MolecularWeight: 336.425823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)C)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)C)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3/c1-15-3-4-17-14-16(2)21(23-20(17)13-15)25-11-9-24(10-12-25)19-7-5-18(22)6-8-19/h3-8,13-14H,9-12H2,1-2H3/p+1