1-[4,5-bis(4-octoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium

Systemtic Name: 1-[4,5-bis(4-octoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium Openeye Name: 1-[4,5-bis(4-octoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium CAS Name: 1-[4,5-bis(4-octoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium IUPAC Name: 1-[4,5-bis(4-octoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium Traditional Name: 1-[4,5-bis(4-octoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium Formula: C36H52NO2S2+ MolecularWeight: 594.93358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(SC(=[N+]3CCCCC3)S2)C4=CC=C(C=C4)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(SC(=[N+]3CCCCC3)S2)C4=CC=C(C=C4)OCCCCCCCC

InChI

InChI=1S/C36H52NO2S2/c1-3-5-7-9-11-16-28-38-32-22-18-30(19-23-32)34-35(41-36(40-34)37-26-14-13-15-27-37)31-20-24-33(25-21-31)39-29-17-12-10-8-6-4-2/h18-25H,3-17,26-29H2,1-2H3/q+1