1-methyl-4-[3-(1-methylquinolin-1-ium-4-yl)-2,4-dithiophen-2-yl-cyclobutyl]quinolin-1-ium

Systemtic Name: 1-methyl-4-[3-(1-methylquinolin-1-ium-4-yl)-2,4-dithiophen-2-yl-cyclobutyl]quinolin-1-ium Openeye Name: 1-methyl-4-[3-(1-methylquinolin-1-ium-4-yl)-2,4-bis(2-thienyl)cyclobutyl]quinolin-1-ium CAS Name: 1-methyl-4-[3-(1-methyl-4-quinolin-1-iumyl)-2,4-dithiophen-2-ylcyclobutyl]quinolin-1-ium IUPAC Name: 1-methyl-4-[3-(1-methylquinolin-1-ium-4-yl)-2,4-dithiophen-2-ylcyclobutyl]quinolin-1-ium Traditional Name: 1-methyl-4-[3-(1-methylquinolin-1-ium-4-yl)-2,4-bis(2-thienyl)cyclobutyl]quinolin-1-ium Formula: C32H28N2S2+2 MolecularWeight: 504.70812

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C3C(C(C3C4=CC=CS4)C5=CC=[N+](C6=CC=CC=C56)C)C7=CC=CS7

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)C3C(C(C3C4=CC=CS4)C5=CC=[N+](C6=CC=CC=C56)C)C7=CC=CS7

InChI

InChI=1S/C32H28N2S2/c1-33-17-15-23(21-9-3-5-11-25(21)33)29-31(27-13-7-19-35-27)30(32(29)28-14-8-20-36-28)24-16-18-34(2)26-12-6-4-10-22(24)26/h3-20,29-32H,1-2H3/q+2