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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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