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

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]-N-phenyl-N-prop-2-enylacetamide IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-phenyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C24H26N5O3+ MolecularWeight: 432.49494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O3/c1-2-12-28(19-6-4-3-5-7-19)24(30)18-26-13-15-27(16-14-26)22-8-9-23(29(31)32)21-17-25-11-10-20(21)22/h2-11,17H,1,12-16,18H2/p+1