2-(3-ethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(3-ethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(3-ethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(3-ethylphenoxy)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(3-ethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(3-ethylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-3-17-5-4-6-20(15-17)26-16-21(25)22-18-7-9-19(10-8-18)24-13-11-23(2)12-14-24/h4-10,15H,3,11-14,16H2,1-2H3,(H,22,25)/p+1