2-(3,5-dimethylphenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O2/c1-21-16-22(2)18-26(17-21)32-20-27(31)28-24-8-10-25(11-9-24)30-14-12-29(13-15-30)19-23-6-4-3-5-7-23/h3-11,16-18H,12-15,19-20H2,1-2H3,(H,28,31)/p+1