5-(4-methylphenyl)-2-piperidin-1-ium-1-ylidene-1,3-dithiole-4-thiol

Systemtic Name: 5-(4-methylphenyl)-2-piperidin-1-ium-1-ylidene-1,3-dithiole-4-thiol Openeye Name: 2-piperidin-1-ium-1-ylidene-5-(p-tolyl)-1,3-dithiole-4-thiol CAS Name: 5-(4-methylphenyl)-2-(1-piperidin-1-iumylidene)-1,3-dithiole-4-thiol IUPAC Name: 5-(4-methylphenyl)-2-piperidin-1-ium-1-ylidene-1,3-dithiole-4-thiol Traditional Name: 2-piperidin-1-ium-1-ylidene-5-(p-tolyl)-1,3-dithiole-4-thiol Formula: C15H18NS3+ MolecularWeight: 308.50512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=[N+]3CCCCC3)S2)S

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=[N+]3CCCCC3)S2)S

InChI

InChI=1S/C15H17NS3/c1-11-5-7-12(8-6-11)13-14(17)19-15(18-13)16-9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3/p+1