2-(4-chloranyl-3-methyl-phenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-chloro-3-methyl-phenoxy)acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-chloro-3-methyl-phenoxy)acetamide Formula: C26H29ClN3O2+ MolecularWeight: 450.98036

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN3O2/c1-20-17-24(11-12-25(20)27)32-19-26(31)28-22-7-9-23(10-8-22)30-15-13-29(14-16-30)18-21-5-3-2-4-6-21/h2-12,17H,13-16,18-19H2,1H3,(H,28,31)/p+1