1-[1-[3-(9-propylfluoren-9-yl)sulfanylpropyl]piperidin-4-yl]-1,3-dihydroisoindol-2-ium 2-oxide

Systemtic Name: 1-[1-[3-(9-propylfluoren-9-yl)sulfanylpropyl]piperidin-4-yl]-1,3-dihydroisoindol-2-ium 2-oxide Openeye Name: 1-[1-[3-(9-propylfluoren-9-yl)sulfanylpropyl]-4-piperidyl]isoindolin-2-ium 2-oxide CAS Name: 1-[1-[3-[(9-propyl-9-fluorenyl)thio]propyl]-4-piperidinyl]-1,3-dihydroisoindol-2-ium 2-oxide IUPAC Name: 1-[1-[3-(9-propylfluoren-9-yl)sulfanylpropyl]piperidin-4-yl]-1,3-dihydroisoindol-2-ium 2-oxide Traditional Name: 1-[1-[3-[(9-propylfluoren-9-yl)thio]propyl]-4-piperidyl]isoindolin-2-ium 2-oxide Formula: C32H37N2OS+ MolecularWeight: 497.71398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=CC=CC=C2C3=CC=CC=C31)SCCCN4CCC(CC4)C5C6=CC=CC=C6C[N+]5=O

Isomeric SMILES

CCCC1(C2=CC=CC=C2C3=CC=CC=C31)SCCCN4CCC(CC4)C5C6=CC=CC=C6C[N+]5=O

InChI

InChI=1S/C32H37N2OS/c1-2-18-32(29-14-7-5-12-27(29)28-13-6-8-15-30(28)32)36-22-9-19-33-20-16-24(17-21-33)31-26-11-4-3-10-25(26)23-34(31)35/h3-8,10-15,24,31H,2,9,16-23H2,1H3/q+1