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

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2,3-dimethylphenoxy)ethanamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(2,3-dimethylphenoxy)acetamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=CC(=C3C)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=CC(=C3C)C)Cl

InChI

InChI=1S/C22H28ClN3O2/c1-4-25-10-12-26(13-11-25)20-9-8-18(14-19(20)23)24-22(27)15-28-21-7-5-6-16(2)17(21)3/h5-9,14H,4,10-13,15H2,1-3H3,(H,24,27)/p+1