2-[4-[4-(1-propylpiperidin-1-ium-1-yl)butyl]-2,3-dihydro-1H-inden-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-[4-[4-(1-propylpiperidin-1-ium-1-yl)butyl]-2,3-dihydro-1H-inden-1-yl]-3H-isoindol-1-one Openeye Name: 2-[4-[4-(1-propylpiperidin-1-ium-1-yl)butyl]indan-1-yl]isoindolin-1-one CAS Name: 2-[4-[4-(1-propyl-1-piperidin-1-iumyl)butyl]-2,3-dihydro-1H-inden-1-yl]-3H-isoindol-1-one IUPAC Name: 2-[4-[4-(1-propylpiperidin-1-ium-1-yl)butyl]-2,3-dihydro-1H-inden-1-yl]-3H-isoindol-1-one Traditional Name: 2-[4-[4-(1-propylpiperidin-1-ium-1-yl)butyl]indan-1-yl]isoindolin-1-one Formula: C29H39N2O+ MolecularWeight: 431.63276

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCCC1)CCCCC2=CC=CC3=C2CCC3N4CC5=CC=CC=C5C4=O

Isomeric SMILES

CCC[N+]1(CCCCC1)CCCCC2=CC=CC3=C2CCC3N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C29H39N2O/c1-2-18-31(19-7-3-8-20-31)21-9-6-11-23-13-10-15-27-25(23)16-17-28(27)30-22-24-12-4-5-14-26(24)29(30)32/h4-5,10,12-15,28H,2-3,6-9,11,16-22H2,1H3/q+1