[5-chloranyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylazanium

Systemtic Name: [5-chloranyl-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylazanium Openeye Name: [5-chloro-2-[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]ethoxy]phenyl]methylammonium CAS Name: [5-chloro-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylammonium IUPAC Name: [5-chloro-2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylazanium Traditional Name: [5-chloro-2-[2-(4-cumylphenoxy)ethoxy]benzyl]ammonium Formula: C24H27ClNO2+ MolecularWeight: 396.92968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCOC3=C(C=C(C=C3)Cl)C[NH3+]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCOC3=C(C=C(C=C3)Cl)C[NH3+]

InChI

InChI=1S/C24H26ClNO2/c1-24(2,19-6-4-3-5-7-19)20-8-11-22(12-9-20)27-14-15-28-23-13-10-21(25)16-18(23)17-26/h3-13,16H,14-15,17,26H2,1-2H3/p+1