(5Z)-4-oxidanyl-5-(5-pyrrolidin-1-ium-1-ylidenethiophen-2-ylidene)-3-(5-pyrrolidin-1-ylthiophen-2-yl)cyclopent-3-ene-1,2-dione

Systemtic Name: (5Z)-4-oxidanyl-5-(5-pyrrolidin-1-ium-1-ylidenethiophen-2-ylidene)-3-(5-pyrrolidin-1-ylthiophen-2-yl)cyclopent-3-ene-1,2-dione Openeye Name: (5Z)-4-hydroxy-5-(5-pyrrolidin-1-ium-1-ylidene-2-thienylidene)-3-(5-pyrrolidin-1-yl-2-thienyl)cyclopent-3-ene-1,2-dione CAS Name: (5Z)-4-hydroxy-5-[5-(1-pyrrolidin-1-iumylidene)-2-thiophenylidene]-3-[5-(1-pyrrolidinyl)-2-thiophenyl]cyclopent-3-ene-1,2-dione IUPAC Name: (5Z)-4-hydroxy-5-(5-pyrrolidin-1-ium-1-ylidenethiophen-2-ylidene)-3-(5-pyrrolidin-1-ylthiophen-2-yl)cyclopent-3-ene-1,2-dione Traditional Name: (5Z)-4-hydroxy-5-(5-pyrrolidin-1-ium-1-ylidene-2-thienylidene)-3-(5-pyrrolidino-2-thienyl)cyclopent-3-ene-1,2-quinone Formula: C21H21N2O3S2+ MolecularWeight: 413.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(S2)C3=C(C(=C4C=CC(=[N+]5CCCC5)S4)C(=O)C3=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(S2)C3=C(/C(=C/4\C=CC(=[N+]5CCCC5)S4)/C(=O)C3=O)O

InChI

InChI=1S/C21H20N2O3S2/c24-19-17(13-5-7-15(27-13)22-9-1-2-10-22)20(25)21(26)18(19)14-6-8-16(28-14)23-11-3-4-12-23/h5-8H,1-4,9-12H2/p+1