(2R)-N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-chloranyl-4-methoxy-phenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-chloro-4-methoxyphenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-chloro-4-methoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]propionamide Formula: C23H25ClN5O4+ MolecularWeight: 470.9287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24ClN5O4/c1-15(23(30)26-16-3-6-22(33-2)19(24)13-16)27-9-11-28(12-10-27)20-4-5-21(29(31)32)18-14-25-8-7-17(18)20/h3-8,13-15H,9-12H2,1-2H3,(H,26,30)/p+1/t15-/m1/s1