4-[1,3-bis[(1-butylpyridin-1-ium-4-yl)sulfanyl]propan-2-ylsulfanyl]-1-butyl-pyridin-1-ium

Systemtic Name: 4-[1,3-bis[(1-butylpyridin-1-ium-4-yl)sulfanyl]propan-2-ylsulfanyl]-1-butyl-pyridin-1-ium Openeye Name: 1-butyl-4-[2-(1-butylpyridin-1-ium-4-yl)sulfanyl-1-[(1-butylpyridin-1-ium-4-yl)sulfanylmethyl]ethyl]sulfanyl-pyridin-1-ium CAS Name: 4-[1,3-bis[(1-butyl-4-pyridin-1-iumyl)thio]propan-2-ylthio]-1-butylpyridin-1-ium IUPAC Name: 4-[1,3-bis[(1-butylpyridin-1-ium-4-yl)sulfanyl]propan-2-ylsulfanyl]-1-butylpyridin-1-ium Traditional Name: 1-butyl-4-[[2-[(1-butylpyridin-1-ium-4-yl)thio]-1-[[(1-butylpyridin-1-ium-4-yl)thio]methyl]ethyl]thio]pyridin-1-ium Formula: C30H44N3S3+3 MolecularWeight: 542.88546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)SCC(CSC2=CC=[N+](C=C2)CCCC)SC3=CC=[N+](C=C3)CCCC

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)SCC(CSC2=CC=[N+](C=C2)CCCC)SC3=CC=[N+](C=C3)CCCC

InChI

InChI=1S/C30H44N3S3/c1-4-7-16-31-19-10-27(11-20-31)34-25-30(36-29-14-23-33(24-15-29)18-9-6-3)26-35-28-12-21-32(22-13-28)17-8-5-2/h10-15,19-24,30H,4-9,16-18,25-26H2,1-3H3/q+3