2-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,4-bis(1-ethyl-2-methyl-indol-3-yl)-2H-furan-5-one

Systemtic Name: 2-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,4-bis(1-ethyl-2-methyl-indol-3-yl)-2H-furan-5-one Openeye Name: 2-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,4-bis(1-ethyl-2-methyl-indol-3-yl)-2H-furan-5-one CAS Name: 2-(1-butyl-1-methyl-3-indol-1-iumyl)-3,4-bis(1-ethyl-2-methyl-3-indolyl)-2H-furan-5-one IUPAC Name: 2-(1-butyl-1-methylindol-1-ium-3-yl)-3,4-bis(1-ethyl-2-methylindol-3-yl)-2H-furan-5-one Traditional Name: 2-(1-butyl-1-methyl-indol-1-ium-3-yl)-3,4-bis(1-ethyl-2-methyl-indol-3-yl)-2H-furan-5-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)C3C(=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)C3C(=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)24-30(27-17-13-16-22-33(27)42)38-36(34-25(4)40(8-2)31-20-14-11-18-28(31)34)37(39(43)44-38)35-26(5)41(9-3)32-21-15-12-19-29(32)35/h11-22,24,38H,7-10,23H2,1-6H3/q+1