2-(1-piperidin-1-ylpiperidin-1-ium-1-yl)carbonylisoquinolin-1-one

Systemtic Name: 2-(1-piperidin-1-ylpiperidin-1-ium-1-yl)carbonylisoquinolin-1-one Openeye Name: 2-[1-(1-piperidyl)piperidin-1-ium-1-carbonyl]isoquinolin-1-one CAS Name: 2-[oxo-[1-(1-piperidinyl)-1-piperidin-1-iumyl]methyl]-1-isoquinolinone IUPAC Name: 2-(1-piperidin-1-ylpiperidin-1-ium-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(1-piperidinopiperidin-1-ium-1-carbonyl)isocarbostyril Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)[N+]2(CCCCC2)C(=O)N3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)[N+]2(CCCCC2)C(=O)N3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H26N3O2/c24-19-18-10-4-3-9-17(18)11-14-22(19)20(25)23(15-7-2-8-16-23)21-12-5-1-6-13-21/h3-4,9-11,14H,1-2,5-8,12-13,15-16H2/q+1