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

Systemtic Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-aniline Openeye Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methyl-aniline CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-methylaniline IUPAC Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-methylaniline Traditional Name: [4-[[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(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)N

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)N

InChI

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