3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-aniline

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-aniline Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-aniline CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-methylaniline IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methylaniline Traditional Name: [3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-phenyl]amine Formula: C18H23FN3+ MolecularWeight: 300.393723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1N)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3/c1-14-15(3-2-4-18(14)20)13-21-9-11-22(12-10-21)17-7-5-16(19)6-8-17/h2-8H,9-13,20H2,1H3/p+1