7-[1-(phenylmethylidene)piperidin-1-ium-4-yl]-9H-purin-8-one

Systemtic Name: 7-[1-(phenylmethylidene)piperidin-1-ium-4-yl]-9H-purin-8-one Openeye Name: 7-(1-benzylidenepiperidin-1-ium-4-yl)-9H-purin-8-one CAS Name: 7-[1-(phenylmethylene)-4-piperidin-1-iumyl]-9H-purin-8-one IUPAC Name: 7-(1-benzylidenepiperidin-1-ium-4-yl)-9H-purin-8-one Traditional Name: 7-(1-benzalpiperidin-1-ium-4-yl)-9H-purin-8-one Formula: C17H18N5O+ MolecularWeight: 308.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=CC2=CC=CC=C2)CCC1N3C4=CN=CN=C4NC3=O

Isomeric SMILES

C1C[N+](=CC2=CC=CC=C2)CCC1N3C4=CN=CN=C4NC3=O

InChI

InChI=1S/C17H17N5O/c23-17-20-16-15(10-18-12-19-16)22(17)14-6-8-21(9-7-14)11-13-4-2-1-3-5-13/h1-5,10-12,14H,6-9H2/p+1