4-chloranyl-3-[4-[(dimethylazaniumyl)methyl]phenyl]benzoate

Systemtic Name: 4-chloranyl-3-[4-[(dimethylazaniumyl)methyl]phenyl]benzoate Openeye Name: 4-chloro-3-[4-[(dimethylammonio)methyl]phenyl]benzoate CAS Name: 4-chloro-3-[4-[(dimethylammonio)methyl]phenyl]benzoate IUPAC Name: 4-chloro-3-[4-[(dimethylazaniumyl)methyl]phenyl]benzoate Traditional Name: 4-chloro-3-[4-[(dimethylammonio)methyl]phenyl]benzoate Formula: C16H16ClNO2 MolecularWeight: 289.75674

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)[O-])Cl

InChI

InChI=1S/C16H16ClNO2/c1-18(2)10-11-3-5-12(6-4-11)14-9-13(16(19)20)7-8-15(14)17/h3-9H,10H2,1-2H3,(H,19,20)