phenyl-(2-pyrrolidin-1-ium-1-ylidene-1,3-dithiol-4-yl)methanone bromide

Systemtic Name: phenyl-(2-pyrrolidin-1-ium-1-ylidene-1,3-dithiol-4-yl)methanone bromide Openeye Name: phenyl-(2-pyrrolidin-1-ium-1-ylidene-1,3-dithiol-4-yl)methanone bromide CAS Name: phenyl-[2-(1-pyrrolidin-1-iumylidene)-1,3-dithiol-4-yl]methanone bromide IUPAC Name: phenyl-(2-pyrrolidin-1-ium-1-ylidene-1,3-dithiol-4-yl)methanone bromide Traditional Name: phenyl-(2-pyrrolidin-1-ium-1-ylidene-1,3-dithiol-4-yl)methanone bromide Formula: C14H14BrNOS2 MolecularWeight: 356.30106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2SC=C(S2)C(=O)C3=CC=CC=C3)C1.[Br-]

Isomeric SMILES

C1CC[N+](=C2SC=C(S2)C(=O)C3=CC=CC=C3)C1.[Br-]

InChI

InChI=1S/C14H14NOS2.BrH/c16-13(11-6-2-1-3-7-11)12-10-17-14(18-12)15-8-4-5-9-15;/h1-3,6-7,10H,4-5,8-9H2;1H/q+1;/p-1