(2S)-N-(3-bromophenyl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-bromophenyl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-bromophenyl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-bromophenyl)-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C19H22BrN4O3+ MolecularWeight: 434.30698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H21BrN4O3/c1-14(19(25)21-16-6-4-5-15(20)13-16)22-9-11-23(12-10-22)17-7-2-3-8-18(17)24(26)27/h2-8,13-14H,9-12H2,1H3,(H,21,25)/p+1/t14-/m0/s1