1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium sulfate

Systemtic Name: 1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium sulfate Openeye Name: 1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium sulfate CAS Name: 1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium sulfate IUPAC Name: 1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium sulfate Traditional Name: 1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium sulfate Formula: C30H36N2O6S5 MolecularWeight: 680.94164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)S2.COC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)S2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)S2.COC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)S2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C15H18NOS2.H2O4S/c2*1-17-13-7-5-12(6-8-13)14-11-18-15(19-14)16-9-3-2-4-10-16;1-5(2,3)4/h2*5-8,11H,2-4,9-10H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2