[(4S)-4-[(4-bromanyl-2-nitro-phenyl)amino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(4-bromanyl-2-nitro-phenyl)amino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-(4-bromo-2-nitro-anilino)pentyl]-diethyl-ammonium CAS Name: [(4S)-4-(4-bromo-2-nitroanilino)pentyl]-diethylammonium IUPAC Name: [(4S)-4-(4-bromo-2-nitroanilino)pentyl]-diethylazanium Traditional Name: [(4S)-4-(4-bromo-2-nitro-anilino)pentyl]-diethyl-ammonium Formula: C15H25BrN3O2+ MolecularWeight: 359.2819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)NC1=C(C=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC1=C(C=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H24BrN3O2/c1-4-18(5-2)10-6-7-12(3)17-14-9-8-13(16)11-15(14)19(20)21/h8-9,11-12,17H,4-7,10H2,1-3H3/p+1/t12-/m0/s1