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

Systemtic Name: N-ethyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-ethyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-ethyl-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-ethyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-ethyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3/c1-2-27(18-6-4-3-5-7-18)23(29)17-25-12-14-26(15-13-25)21-8-9-22(28(30)31)20-16-24-11-10-19(20)21/h3-11,16H,2,12-15,17H2,1H3/p+1