N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-isopropoxy-benzamide CAS Name: N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3-propan-2-yloxybenzamide Traditional Name: N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-3-isopropoxy-benzamide Formula: C27H31FN3O2+ MolecularWeight: 448.552343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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