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

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetamide Formula: C23H26N5O5+ MolecularWeight: 452.48304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H25N5O5/c1-32-16-3-4-19(22(13-16)33-2)25-23(29)15-26-9-11-27(12-10-26)20-5-6-21(28(30)31)18-14-24-8-7-17(18)20/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)/p+1