4-(4-azanyl-3-bromanyl-phenyl)hexanamide; ethane; ethyl-methyl-pentan-2-yl-azanium; chloride

Systemtic Name: 4-(4-azanyl-3-bromanyl-phenyl)hexanamide; ethane; ethyl-methyl-pentan-2-yl-azanium; chloride Openeye Name: 4-(4-amino-3-bromo-phenyl)hexanamide; ethane; ethyl-methyl-(1-methylbutyl)ammonium; chloride CAS Name: 4-(4-amino-3-bromophenyl)hexanamide; ethane; ethyl-methyl-pentan-2-ylammonium; chloride IUPAC Name: 4-(4-amino-3-bromophenyl)hexanamide; ethane; ethyl-methyl-pentan-2-ylazanium; chloride Traditional Name: 4-(4-amino-3-bromo-phenyl)hexanamide; ethane; ethyl-methyl-(1-methylbutyl)ammonium; chloride Formula: C22H43BrClN3O MolecularWeight: 480.95332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC.CCCC(C)[NH+](C)CC.CCC(CCC(=O)N)C1=CC(=C(C=C1)N)Br.[Cl-]

Isomeric SMILES

CC.CCCC(C)[NH+](C)CC.CCC(CCC(=O)N)C1=CC(=C(C=C1)N)Br.[Cl-]

InChI

InChI=1S/C12H17BrN2O.C8H19N.C2H6.ClH/c1-2-8(4-6-12(15)16)9-3-5-11(14)10(13)7-9;1-5-7-8(3)9(4)6-2;1-2;/h3,5,7-8H,2,4,6,14H2,1H3,(H2,15,16);8H,5-7H2,1-4H3;1-2H3;1H