2-[1-(diphenylmethyl)piperidin-1-ium-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-(diphenylmethyl)piperidin-1-ium-1-yl]-3H-isoindol-1-one Openeye Name: 2-(1-benzhydrylpiperidin-1-ium-1-yl)isoindolin-1-one CAS Name: 2-[1-(diphenylmethyl)-1-piperidin-1-iumyl]-3H-isoindol-1-one IUPAC Name: 2-(1-benzhydrylpiperidin-1-ium-1-yl)-3H-isoindol-1-one Traditional Name: 2-(1-benzhydrylpiperidin-1-ium-1-yl)isoindolin-1-one Formula: C26H27N2O+ MolecularWeight: 383.50538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(C(C2=CC=CC=C2)C3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CC[N+](CC1)(C(C2=CC=CC=C2)C3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C26H27N2O/c29-26-24-17-9-8-16-23(24)20-27(26)28(18-10-3-11-19-28)25(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-2,4-9,12-17,25H,3,10-11,18-20H2/q+1