sodium 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate

Systemtic Name: sodium 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: sodium 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate CAS Name: sodium 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate IUPAC Name: sodium 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Traditional Name: sodium 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Formula: C16H22BrN2NaO2 MolecularWeight: 377.25185

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)[O-])Br)N)C2CCCCC2.[Na+]

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)[O-])Br)N)C2CCCCC2.[Na+]

InChI

InChI=1S/C16H23BrN2O2.Na/c1-2-19(13-6-4-3-5-7-13)10-12-8-11(16(20)21)9-14(17)15(12)18;/h8-9,13H,2-7,10,18H2,1H3,(H,20,21);/q;+1/p-1