[4-(1-azanylisoquinolin-7-yl)piperazin-1-yl]-[4-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]methanone

Systemtic Name: [4-(1-azanylisoquinolin-7-yl)piperazin-1-yl]-[4-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]methanone Openeye Name: [4-(1-amino-7-isoquinolyl)piperazin-1-yl]-[4-(1-oxidopyridin-1-ium-3-yl)phenyl]methanone CAS Name: [4-(1-amino-7-isoquinolinyl)-1-piperazinyl]-[4-(1-oxido-3-pyridin-1-iumyl)phenyl]methanone IUPAC Name: [4-(1-aminoisoquinolin-7-yl)piperazin-1-yl]-[4-(1-oxidopyridin-1-ium-3-yl)phenyl]methanone Traditional Name: [4-(1-amino-7-isoquinolyl)piperazino]-[4-(1-oxidopyridin-1-ium-3-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=C[N+](=CC=C5)[O-]

Isomeric SMILES

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

InChI

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