2-(2-chloranyl-4-phenyl-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-phenyl-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]ethanamide Openeye Name: 2-(2-chloro-4-phenyl-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]acetamide CAS Name: 2-(2-chloro-4-phenylphenoxy)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]acetamide IUPAC Name: 2-(2-chloro-4-phenylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]acetamide Traditional Name: 2-(2-chloro-4-phenyl-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]acetamide Formula: C27H31ClN3O2+ MolecularWeight: 465.00694

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C27H30ClN3O2/c1-3-30-13-15-31(16-14-30)23-10-11-25(20(2)17-23)29-27(32)19-33-26-12-9-22(18-24(26)28)21-7-5-4-6-8-21/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,29,32)/p+1