3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(4-propan-2-ylphenyl)methyl]-2-methyl-1H-indole

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(4-propan-2-ylphenyl)methyl]-2-methyl-1H-indole Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(4-isopropylphenyl)methyl]-2-methyl-1H-indole CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-(4-propan-2-ylphenyl)methyl]-2-methyl-1H-indole IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(4-propan-2-ylphenyl)methyl]-2-methyl-1H-indole Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-p-cumenyl-methyl]-2-methyl-1H-indole Formula: C29H33FN3+ MolecularWeight: 442.590823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)C(C)C)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)C(C)C)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H32FN3/c1-20(2)22-8-10-23(11-9-22)29(28-21(3)31-27-7-5-4-6-26(27)28)33-18-16-32(17-19-33)25-14-12-24(30)13-15-25/h4-15,20,29,31H,16-19H2,1-3H3/p+1