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

Systemtic Name: 1-[4,5-bis(4-decoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium Openeye Name: 1-[4,5-bis(4-decoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium CAS Name: 1-[4,5-bis(4-decoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium IUPAC Name: 1-[4,5-bis(4-decoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium Traditional Name: 1-[4,5-bis(4-decoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium Formula: C40H60NO2S2+ MolecularWeight: 651.0399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=C(SC(=[N+]3CCCCC3)S2)C4=CC=C(C=C4)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=C(SC(=[N+]3CCCCC3)S2)C4=CC=C(C=C4)OCCCCCCCCCC

InChI

InChI=1S/C40H60NO2S2/c1-3-5-7-9-11-13-15-20-32-42-36-26-22-34(23-27-36)38-39(45-40(44-38)41-30-18-17-19-31-41)35-24-28-37(29-25-35)43-33-21-16-14-12-10-8-6-4-2/h22-29H,3-21,30-33H2,1-2H3/q+1