3-(1-bromanyl-1-phenylazanyl-ethyl)-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-(1-bromanyl-1-phenylazanyl-ethyl)-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-(1-anilino-1-bromo-ethyl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-(1-anilino-1-bromoethyl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-(1-anilino-1-bromoethyl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-(1-anilino-1-bromo-ethyl)-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C18H18BrN2O2+ MolecularWeight: 374.25172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)C2=CC=CC=C2[N+](=C1O)C)(NC3=CC=CC=C3)Br

Isomeric SMILES

CC(C1C(=O)C2=CC=CC=C2[N+](=C1O)C)(NC3=CC=CC=C3)Br

InChI

InChI=1S/C18H17BrN2O2/c1-18(19,20-12-8-4-3-5-9-12)15-16(22)13-10-6-7-11-14(13)21(2)17(15)23/h3-11,15,20H,1-2H3/p+1