6-chloranyl-N-[[(3S)-1,4-diazabicyclo[2.2.2]octan-3-yl]methyl]-5-nitro-quinoline-8-carboxamide

Systemtic Name: 6-chloranyl-N-[[(3S)-1,4-diazabicyclo[2.2.2]octan-3-yl]methyl]-5-nitro-quinoline-8-carboxamide Openeye Name: 6-chloro-N-[[(3S)-1,4-diazabicyclo[2.2.2]octan-3-yl]methyl]-5-nitro-quinoline-8-carboxamide CAS Name: 6-chloro-N-[[(3S)-1,4-diazabicyclo[2.2.2]octan-3-yl]methyl]-5-nitro-8-quinolinecarboxamide IUPAC Name: 6-chloro-N-[[(3S)-1,4-diazabicyclo[2.2.2]octan-3-yl]methyl]-5-nitroquinoline-8-carboxamide Traditional Name: 6-chloro-N-[[(3S)-1,4-diazabicyclo[2.2.2]octan-3-yl]methyl]-5-nitro-quinoline-8-carboxamide Formula: C17H18ClN5O3 MolecularWeight: 375.80952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCN1CC2CNC(=O)C3=CC(=C(C4=C3N=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN2CCN1C[C@@H]2CNC(=O)C3=CC(=C(C4=C3N=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN5O3/c18-14-8-13(15-12(2-1-3-19-15)16(14)23(25)26)17(24)20-9-11-10-21-4-6-22(11)7-5-21/h1-3,8,11H,4-7,9-10H2,(H,20,24)/t11-/m0/s1