3-[2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethylamino]propylazanium

Systemtic Name: 3-[2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethylamino]propylazanium Openeye Name: 3-[2-(2-benzyl-4-chloro-phenoxy)ethylamino]propylammonium CAS Name: 3-[2-[4-chloro-2-(phenylmethyl)phenoxy]ethylamino]propylammonium IUPAC Name: 3-[2-(2-benzyl-4-chlorophenoxy)ethylamino]propylazanium Traditional Name: 3-[2-(2-benzyl-4-chloro-phenoxy)ethylamino]propylammonium Formula: C18H24ClN2O+ MolecularWeight: 319.84896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OCCNCCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OCCNCCC[NH3+]

InChI

InChI=1S/C18H23ClN2O/c19-17-7-8-18(22-12-11-21-10-4-9-20)16(14-17)13-15-5-2-1-3-6-15/h1-3,5-8,14,21H,4,9-13,20H2/p+1