[4-(1-azanylisoquinolin-7-yl)piperazin-1-yl]-[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]methanone

Systemtic Name: [4-(1-azanylisoquinolin-7-yl)piperazin-1-yl]-[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]methanone Openeye Name: [4-(1-amino-7-isoquinolyl)piperazin-1-yl]-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone CAS Name: [4-(1-amino-7-isoquinolinyl)-1-piperazinyl]-[4-(1-oxido-4-pyridin-1-iumyl)phenyl]methanone IUPAC Name: [4-(1-aminoisoquinolin-7-yl)piperazin-1-yl]-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone Traditional Name: [4-(1-amino-7-isoquinolyl)piperazino]-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]methanone Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC=C(C=C4)C5=CC=[N+](C=C5)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC=C(C=C4)C5=CC=[N+](C=C5)[O-]

InChI

InChI=1S/C25H23N5O2/c26-24-23-17-22(6-5-20(23)7-10-27-24)28-13-15-29(16-14-28)25(31)21-3-1-18(2-4-21)19-8-11-30(32)12-9-19/h1-12,17H,13-16H2,(H2,26,27)