N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2-(4-propan-2-ylphenoxy)ethanamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2-(4-propan-2-ylphenoxy)ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-isopropylphenoxy)acetamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-isopropylphenoxy)acetamide Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O2/c1-22(2)24-8-14-27(15-9-24)33-21-28(32)29-25-10-12-26(13-11-25)31-18-16-30(17-19-31)20-23-6-4-3-5-7-23/h3-15,22H,16-21H2,1-2H3,(H,29,32)/p+1