3,5,5-tris(1-methyl-1-propyl-indol-1-ium-3-yl)furan-2-one

Systemtic Name: 3,5,5-tris(1-methyl-1-propyl-indol-1-ium-3-yl)furan-2-one Openeye Name: 3,5,5-tris(1-methyl-1-propyl-indol-1-ium-3-yl)furan-2-one CAS Name: 3,5,5-tris(1-methyl-1-propyl-3-indol-1-iumyl)-2-furanone IUPAC Name: 3,5,5-tris(1-methyl-1-propylindol-1-ium-3-yl)furan-2-one Traditional Name: 3,5,5-tris(1-methyl-1-propyl-indol-1-ium-3-yl)furan-2-one Formula: C40H46N3O2+3 MolecularWeight: 600.81214

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=C(C2=CC=CC=C21)C3=CC(OC3=O)(C4=C[N+](C5=CC=CC=C54)(C)CCC)C6=C[N+](C7=CC=CC=C76)(C)CCC)C

Isomeric SMILES

CCC[N+]1(C=C(C2=CC=CC=C21)C3=CC(OC3=O)(C4=C[N+](C5=CC=CC=C54)(C)CCC)C6=C[N+](C7=CC=CC=C76)(C)CCC)C

InChI

InChI=1S/C40H46N3O2/c1-7-22-41(4)26-33(29-16-10-13-19-36(29)41)32-25-40(45-39(32)44,34-27-42(5,23-8-2)37-20-14-11-17-30(34)37)35-28-43(6,24-9-3)38-21-15-12-18-31(35)38/h10-21,25-28H,7-9,22-24H2,1-6H3/q+3