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

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

Systemtic Name:1-[4,5-bis(4-butoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium
Openeye Name:1-[4,5-bis(4-butoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium
CAS Name:1-[4,5-bis(4-butoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium
IUPAC Name:1-[4,5-bis(4-butoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium
Traditional Name:1-[4,5-bis(4-butoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium
Formula: C28H36NO2S2+
MolecularWeight: 482.72094
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(SC(=[N+]3CCCCC3)S2)C4=CC=C(C=C4)OCCCC


Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(SC(=[N+]3CCCCC3)S2)C4=CC=C(C=C4)OCCCC


InChI

InChI=1S/C28H36NO2S2/c1-3-5-20-30-24-14-10-22(11-15-24)26-27(33-28(32-26)29-18-8-7-9-19-29)23-12-16-25(17-13-23)31-21-6-4-2/h10-17H,3-9,18-21H2,1-2H3/q+1


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