4-azanyl-3-bromanyl-5-[[(4-oxidanylcyclohexyl)amino]methyl]benzoic acid hydrochloride

Systemtic Name: 4-azanyl-3-bromanyl-5-[[(4-oxidanylcyclohexyl)amino]methyl]benzoic acid hydrochloride Openeye Name: 4-amino-3-bromo-5-[[(4-hydroxycyclohexyl)amino]methyl]benzoic acid hydrochloride CAS Name: 4-amino-3-bromo-5-[[(4-hydroxycyclohexyl)amino]methyl]benzoic acid hydrochloride IUPAC Name: 4-amino-3-bromo-5-[[(4-hydroxycyclohexyl)amino]methyl]benzoic acid hydrochloride Traditional Name: 4-amino-3-bromo-5-[[(4-hydroxycyclohexyl)amino]methyl]benzoic acid hydrochloride Formula: C14H20BrClN2O3 MolecularWeight: 379.6772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=C(C(=CC(=C2)C(=O)O)Br)N)O.Cl

Isomeric SMILES

C1CC(CCC1NCC2=C(C(=CC(=C2)C(=O)O)Br)N)O.Cl

InChI

InChI=1S/C14H19BrN2O3.ClH/c15-12-6-8(14(19)20)5-9(13(12)16)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2,(H,19,20);1H