[4-(1-azanylisoquinolin-7-yl)piperidin-1-yl]-[4-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethyl]phenyl]methanone

Systemtic Name: [4-(1-azanylisoquinolin-7-yl)piperidin-1-yl]-[4-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethyl]phenyl]methanone Openeye Name: [4-(1-amino-7-isoquinolyl)-1-piperidyl]-[4-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]phenyl]methanone CAS Name: [4-(1-amino-7-isoquinolinyl)-1-piperidinyl]-[4-[2-(1-oxido-3-pyridin-1-iumyl)ethyl]phenyl]methanone IUPAC Name: [4-(1-aminoisoquinolin-7-yl)piperidin-1-yl]-[4-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]phenyl]methanone Traditional Name: [4-(1-amino-7-isoquinolyl)piperidino]-[4-[2-(1-oxidopyridin-1-ium-3-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=C[N+](=CC=C5)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC3=C(C=C2)C=CN=C3N)C(=O)C4=CC=C(C=C4)CCC5=C[N+](=CC=C5)[O-]

InChI

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