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

Systemtic Name: N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide CAS Name: N-methyl-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide Traditional Name: N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide Formula: C24H28N5O3+ MolecularWeight: 434.51082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O3/c1-18(19-6-4-3-5-7-19)26(2)24(30)17-27-12-14-28(15-13-27)22-8-9-23(29(31)32)21-16-25-11-10-20(21)22/h3-11,16,18H,12-15,17H2,1-2H3/p+1/t18-/m1/s1