2-fluoranyl-6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]benzonitrile Formula: C21H25FN3+ MolecularWeight: 338.441703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3/c1-16(2)18-8-6-17(7-9-18)15-24-10-12-25(13-11-24)21-5-3-4-20(22)19(21)14-23/h3-9,16H,10-13,15H2,1-2H3/p+1