3-chloranylbenzoate; ethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 3-chloranylbenzoate; ethyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-dimethyl-ammonium; 3-chlorobenzoate CAS Name: 3-chlorobenzoate; ethyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-dimethylazanium; 3-chlorobenzoate Traditional Name: benzyl-ethyl-dimethyl-ammonium; 3-chlorobenzoate Formula: C18H22ClNO2 MolecularWeight: 319.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CC1=CC=CC=C1.C1=CC(=CC(=C1)Cl)C(=O)[O-]

Isomeric SMILES

CC[N+](C)(C)CC1=CC=CC=C1.C1=CC(=CC(=C1)Cl)C(=O)[O-]

InChI

InChI=1S/C11H18N.C7H5ClO2/c1-4-12(2,3)10-11-8-6-5-7-9-11;8-6-3-1-2-5(4-6)7(9)10/h5-9H,4,10H2,1-3H3;1-4H,(H,9,10)/q+1;/p-1