N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-isopropoxy-benzamide CAS Name: N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-propan-2-yloxybenzamide Traditional Name: N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-4-isopropoxy-benzamide Formula: C27H31FN3O2+ MolecularWeight: 448.552343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H30FN3O2/c1-20(2)33-26-13-5-22(6-14-26)27(32)29-24-9-11-25(12-10-24)31-17-15-30(16-18-31)19-21-3-7-23(28)8-4-21/h3-14,20H,15-19H2,1-2H3,(H,29,32)/p+1