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

Systemtic Name: 3,5,5-tris(1-butyl-1-methyl-indol-1-ium-3-yl)furan-2-one Openeye Name: 3,5,5-tris(1-butyl-1-methyl-indol-1-ium-3-yl)furan-2-one CAS Name: 3,5,5-tris(1-butyl-1-methyl-3-indol-1-iumyl)-2-furanone IUPAC Name: 3,5,5-tris(1-butyl-1-methylindol-1-ium-3-yl)furan-2-one Traditional Name: 3,5,5-tris(1-butyl-1-methyl-indol-1-ium-3-yl)furan-2-one Formula: C43H52N3O2+3 MolecularWeight: 642.89188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H52N3O2/c1-7-10-25-44(4)29-36(32-19-13-16-22-39(32)44)35-28-43(48-42(35)47,37-30-45(5,26-11-8-2)40-23-17-14-20-33(37)40)38-31-46(6,27-12-9-3)41-24-18-15-21-34(38)41/h13-24,28-31H,7-12,25-27H2,1-6H3/q+3