bis(chloranyl)phosphinate; 3-(4-bromophenyl)-8-pyrrolidin-1-ium-1-ylidene-thieno[2,3-b]pyrrolizine

Systemtic Name: bis(chloranyl)phosphinate; 3-(4-bromophenyl)-8-pyrrolidin-1-ium-1-ylidene-thieno[2,3-b]pyrrolizine Openeye Name: 3-(4-bromophenyl)-8-pyrrolidin-1-ium-1-ylidene-thieno[2,3-b]pyrrolizine; dichlorophosphinate CAS Name: 3-(4-bromophenyl)-8-(1-pyrrolidin-1-iumylidene)thieno[2,3-b]pyrrolizine; dichlorophosphinate IUPAC Name: 3-(4-bromophenyl)-8-pyrrolidin-1-ium-1-ylidenethieno[2,3-b]pyrrolizine; dichlorophosphinate Traditional Name: 3-(4-bromophenyl)-8-pyrrolidin-1-ium-1-ylidene-thieno[2,3-b]pyrrolizine; dichlorophosphinate Formula: C19H16BrCl2N2O2PS MolecularWeight: 518.191301

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2C3=CC=CN3C4=C2SC=C4C5=CC=C(C=C5)Br)C1.[O-]P(=O)(Cl)Cl

Isomeric SMILES

C1CC[N+](=C2C3=CC=CN3C4=C2SC=C4C5=CC=C(C=C5)Br)C1.[O-]P(=O)(Cl)Cl

InChI

InChI=1S/C19H16BrN2S.Cl2HO2P/c20-14-7-5-13(6-8-14)15-12-23-19-17(15)22-11-3-4-16(22)18(19)21-9-1-2-10-21;1-5(2,3)4/h3-8,11-12H,1-2,9-10H2;(H,3,4)/q+1;/p-1