(2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide

Systemtic Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propionamide Formula: C22H24N5O3+ MolecularWeight: 406.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c1-16(22(28)24-21-6-2-5-20-19(21)4-3-11-23-20)25-12-14-26(15-13-25)17-7-9-18(10-8-17)27(29)30/h2-11,16H,12-15H2,1H3,(H,24,28)/p+1/t16-/m0/s1