3-[(4-bromophenyl)-(2-methylpropanoyl)amino]propylazanium

Systemtic Name: 3-[(4-bromophenyl)-(2-methylpropanoyl)amino]propylazanium Openeye Name: 3-[4-bromo-N-(2-methylpropanoyl)anilino]propylammonium CAS Name: 3-(4-bromo-N-(2-methyl-1-oxopropyl)anilino)propylammonium IUPAC Name: 3-[4-bromo-N-(2-methylpropanoyl)anilino]propylazanium Traditional Name: 3-(4-bromo-N-isobutyryl-anilino)propylammonium Formula: C13H20BrN2O+ MolecularWeight: 300.2147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCC[NH3+])C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)C(=O)N(CCC[NH3+])C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H19BrN2O/c1-10(2)13(17)16(9-3-8-15)12-6-4-11(14)5-7-12/h4-7,10H,3,8-9,15H2,1-2H3/p+1