2-(4-chlorophenyl)ethylazanium; 2-[2-(4-chlorophenyl)ethyliminomethyl]benzoate

Systemtic Name: 2-(4-chlorophenyl)ethylazanium; 2-[2-(4-chlorophenyl)ethyliminomethyl]benzoate Openeye Name: 2-(4-chlorophenyl)ethylammonium; 2-[2-(4-chlorophenyl)ethyliminomethyl]benzoate CAS Name: 2-(4-chlorophenyl)ethylammonium; 2-[2-(4-chlorophenyl)ethyliminomethyl]benzoate IUPAC Name: 2-(4-chlorophenyl)ethylazanium; 2-[2-(4-chlorophenyl)ethyliminomethyl]benzoate Traditional Name: 2-(4-chlorophenyl)ethylammonium; 2-[2-(4-chlorophenyl)ethyliminomethyl]benzoate Formula: C24H24Cl2N2O2 MolecularWeight: 443.36556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NCCC2=CC=C(C=C2)Cl)C(=O)[O-].C1=CC(=CC=C1CC[NH3+])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C=NCCC2=CC=C(C=C2)Cl)C(=O)[O-].C1=CC(=CC=C1CC[NH3+])Cl

InChI

InChI=1S/C16H14ClNO2.C8H10ClN/c17-14-7-5-12(6-8-14)9-10-18-11-13-3-1-2-4-15(13)16(19)20;9-8-3-1-7(2-4-8)5-6-10/h1-8,11H,9-10H2,(H,19,20);1-4H,5-6,10H2