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

Systemtic Name: [3-[(4-bromophenyl)amino]-3-oxidanylidene-propyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(4-bromoanilino)-3-oxo-propyl]-ethyl-ammonium CAS Name: [3-(4-bromoanilino)-3-oxopropyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(4-bromoanilino)-3-oxopropyl]-ethylazanium Traditional Name: benzyl-[3-(4-bromoanilino)-3-keto-propyl]-ethyl-ammonium Formula: C18H22BrN2O+ MolecularWeight: 362.28408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC(=O)NC1=CC=C(C=C1)Br)CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CCC(=O)NC1=CC=C(C=C1)Br)CC2=CC=CC=C2

InChI

InChI=1S/C18H21BrN2O/c1-2-21(14-15-6-4-3-5-7-15)13-12-18(22)20-17-10-8-16(19)9-11-17/h3-11H,2,12-14H2,1H3,(H,20,22)/p+1