N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide Formula: C24H28N5O4+ MolecularWeight: 450.51022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC(=O)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1OC)NC(=O)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4/c1-17(18-5-3-4-6-23(18)33-2)26-24(30)16-27-11-13-28(14-12-27)21-7-8-22(29(31)32)20-15-25-10-9-19(20)21/h3-10,15,17H,11-14,16H2,1-2H3,(H,26,30)/p+1/t17-/m1/s1