N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)COC3=CC=CC(=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)COC3=CC=CC(=C3)C

InChI

InChI=1S/C21H26ClN3O2/c1-3-24-9-11-25(12-10-24)20-8-7-17(22)14-19(20)23-21(26)15-27-18-6-4-5-16(2)13-18/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,23,26)/p+1