3-azaniumylpropyl-[2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethyl]azanium

Systemtic Name: 3-azaniumylpropyl-[2-[4-chloranyl-2-(phenylmethyl)phenoxy]ethyl]azanium Openeye Name: 3-azaniumylpropyl-[2-(2-benzyl-4-chloro-phenoxy)ethyl]ammonium CAS Name: 3-ammoniopropyl-[2-[4-chloro-2-(phenylmethyl)phenoxy]ethyl]ammonium IUPAC Name: 3-azaniumylpropyl-[2-(2-benzyl-4-chlorophenoxy)ethyl]azanium Traditional Name: 3-ammoniopropyl-[2-(2-benzyl-4-chloro-phenoxy)ethyl]ammonium Formula: C18H25ClN2O+2 MolecularWeight: 320.8569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OCC[NH2+]CCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OCC[NH2+]CCC[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+2