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

Systemtic Name: 1-(1,3-dithiol-2-ylidene)-3-phenyl-piperidin-1-ium perchlorate Openeye Name: 1-(1,3-dithiol-2-ylidene)-3-phenyl-piperidin-1-ium perchlorate CAS Name: 1-(1,3-dithiol-2-ylidene)-3-phenylpiperidin-1-ium perchlorate IUPAC Name: 1-(1,3-dithiol-2-ylidene)-3-phenylpiperidin-1-ium perchlorate Traditional Name: 1-(1,3-dithiol-2-ylidene)-3-phenyl-piperidin-1-ium perchlorate Formula: C14H16ClNO4S2 MolecularWeight: 361.86414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](=C2SC=CS2)C1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CC(C[N+](=C2SC=CS2)C1)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H16NS2.ClHO4/c1-2-5-12(6-3-1)13-7-4-8-15(11-13)14-16-9-10-17-14;2-1(3,4)5/h1-3,5-6,9-10,13H,4,7-8,11H2;(H,2,3,4,5)/q+1;/p-1