1-(4-phenyl-1,3-dithiol-2-ylidene)piperidin-1-ium sulfate

Systemtic Name: 1-(4-phenyl-1,3-dithiol-2-ylidene)piperidin-1-ium sulfate Openeye Name: 1-(4-phenyl-1,3-dithiol-2-ylidene)piperidin-1-ium sulfate CAS Name: 1-(4-phenyl-1,3-dithiol-2-ylidene)piperidin-1-ium sulfate IUPAC Name: 1-(4-phenyl-1,3-dithiol-2-ylidene)piperidin-1-ium sulfate Traditional Name: 1-(4-phenyl-1,3-dithiol-2-ylidene)piperidin-1-ium sulfate Formula: C28H32N2O4S5 MolecularWeight: 620.88968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2SC=C(S2)C3=CC=CC=C3)CC1.C1CC[N+](=C2SC=C(S2)C3=CC=CC=C3)CC1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1CC[N+](=C2SC=C(S2)C3=CC=CC=C3)CC1.C1CC[N+](=C2SC=C(S2)C3=CC=CC=C3)CC1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C14H16NS2.H2O4S/c2*1-3-7-12(8-4-1)13-11-16-14(17-13)15-9-5-2-6-10-15;1-5(2,3)4/h2*1,3-4,7-8,11H,2,5-6,9-10H2;(H2,1,2,3,4)/q2*+1;/p-2