N-isoquinolin-3-yl-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylamino]benzamide

Systemtic Name: N-isoquinolin-3-yl-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylamino]benzamide Openeye Name: N-(3-isoquinolyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]benzamide CAS Name: N-(3-isoquinolinyl)-2-[(1-oxido-4-pyridin-1-iumyl)methylamino]benzamide IUPAC Name: N-isoquinolin-3-yl-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]benzamide Traditional Name: N-(3-isoquinolyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]benzamide Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=CC=CC=C3NCC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=CC=CC=C3NCC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C22H18N4O2/c27-22(25-21-13-17-5-1-2-6-18(17)15-24-21)19-7-3-4-8-20(19)23-14-16-9-11-26(28)12-10-16/h1-13,15,23H,14H2,(H,24,25,27)