[3-[(4-bromophenyl)amino]-3-oxidanylidene-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium

Systemtic Name: [3-[(4-bromophenyl)amino]-3-oxidanylidene-propyl]-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[3-(4-bromoanilino)-3-oxo-propyl]-(2-hydroxyethyl)ammonium CAS Name: [3-(4-bromoanilino)-3-oxopropyl]-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(4-bromoanilino)-3-oxopropyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-[3-(4-bromoanilino)-3-keto-propyl]-(2-hydroxyethyl)ammonium Formula: C18H22BrN2O2+ MolecularWeight: 378.28348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CCC(=O)NC2=CC=C(C=C2)Br)CCO

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CCC(=O)NC2=CC=C(C=C2)Br)CCO

InChI

InChI=1S/C18H21BrN2O2/c19-16-6-8-17(9-7-16)20-18(23)10-11-21(12-13-22)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,20,23)/p+1