[3-(4-chloranylphenoxy)phenyl]methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: [3-(4-chloranylphenoxy)phenyl]methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(4-chlorophenoxy)phenyl]methyl]-phenethyl-ammonium CAS Name: [3-(4-chlorophenoxy)phenyl]methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(4-chlorophenoxy)phenyl]methyl]-phenethylazanium Traditional Name: benzyl-[3-(4-chlorophenoxy)benzyl]-phenethyl-ammonium Formula: C28H27ClNO+ MolecularWeight: 428.97308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC=CC=C2)CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H26ClNO/c29-26-14-16-27(17-15-26)31-28-13-7-12-25(20-28)22-30(21-24-10-5-2-6-11-24)19-18-23-8-3-1-4-9-23/h1-17,20H,18-19,21-22H2/p+1