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

Systemtic Name: 5-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,5-bis(1-ethyl-2-methyl-indol-3-yl)furan-2-one Openeye Name: 5-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,5-bis(1-ethyl-2-methyl-indol-3-yl)furan-2-one CAS Name: 5-(1-butyl-1-methyl-3-indol-1-iumyl)-3,5-bis(1-ethyl-2-methyl-3-indolyl)-2-furanone IUPAC Name: 5-(1-butyl-1-methylindol-1-ium-3-yl)-3,5-bis(1-ethyl-2-methylindol-3-yl)furan-2-one Traditional Name: 5-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,5-bis(1-ethyl-2-methyl-indol-3-yl)furan-2-one Formula: C39H42N3O2+ MolecularWeight: 584.76968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=C(C2=CC=CC=C21)C3(C=C(C(=O)O3)C4=C(N(C5=CC=CC=C54)CC)C)C6=C(N(C7=CC=CC=C76)CC)C)C

Isomeric SMILES

CCCC[N+]1(C=C(C2=CC=CC=C21)C3(C=C(C(=O)O3)C4=C(N(C5=CC=CC=C54)CC)C)C6=C(N(C7=CC=CC=C76)CC)C)C

InChI

InChI=1S/C39H42N3O2/c1-7-10-23-42(6)25-32(28-17-13-16-22-35(28)42)39(37-27(5)41(9-3)34-21-15-12-19-30(34)37)24-31(38(43)44-39)36-26(4)40(8-2)33-20-14-11-18-29(33)36/h11-22,24-25H,7-10,23H2,1-6H3/q+1