2-[1-[(E)-5,5-diphenylpent-2-enyl]piperidin-1-ium-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-[(E)-5,5-diphenylpent-2-enyl]piperidin-1-ium-1-yl]-3H-isoindol-1-one Openeye Name: 2-[1-[(E)-5,5-diphenylpent-2-enyl]piperidin-1-ium-1-yl]isoindolin-1-one CAS Name: 2-[1-[(E)-5,5-diphenylpent-2-enyl]-1-piperidin-1-iumyl]-3H-isoindol-1-one IUPAC Name: 2-[1-[(E)-5,5-diphenylpent-2-enyl]piperidin-1-ium-1-yl]-3H-isoindol-1-one Traditional Name: 2-[1-[(E)-5,5-diphenylpent-2-enyl]piperidin-1-ium-1-yl]isoindolin-1-one Formula: C30H33N2O+ MolecularWeight: 437.59582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33N2O/c33-30-29-20-9-8-18-27(29)24-31(30)32(21-11-3-12-22-32)23-13-10-19-28(25-14-4-1-5-15-25)26-16-6-2-7-17-26/h1-2,4-10,13-18,20,28H,3,11-12,19,21-24H2/q+1/b13-10+