[4-(1-azanylisoquinolin-7-yl)piperidin-1-yl]-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]phenyl]methanone

Systemtic Name: [4-(1-azanylisoquinolin-7-yl)piperidin-1-yl]-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]phenyl]methanone Openeye Name: [4-(1-amino-7-isoquinolyl)-1-piperidyl]-[4-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]phenyl]methanone CAS Name: [4-(1-amino-7-isoquinolinyl)-1-piperidinyl]-[4-[2-(1-oxido-2-pyridin-1-iumyl)ethyl]phenyl]methanone IUPAC Name: [4-(1-aminoisoquinolin-7-yl)piperidin-1-yl]-[4-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]phenyl]methanone Traditional Name: [4-(1-amino-7-isoquinolyl)piperidino]-[4-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]phenyl]methanone Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC=C(C=C4)CCC5=CC=CC=[N+]5[O-]

Isomeric SMILES

C1CN(CCC1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC=C(C=C4)CCC5=CC=CC=[N+]5[O-]

InChI

InChI=1S/C28H28N4O2/c29-27-26-19-24(10-9-22(26)12-15-30-27)21-13-17-31(18-14-21)28(33)23-7-4-20(5-8-23)6-11-25-3-1-2-16-32(25)34/h1-5,7-10,12,15-16,19,21H,6,11,13-14,17-18H2,(H2,29,30)