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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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