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

Systemtic Name: 5-(1-ethyl-2-methyl-indol-3-yl)-3,5-bis(1-methyl-1-propyl-indol-1-ium-3-yl)furan-2-one Openeye Name: 5-(1-ethyl-2-methyl-indol-3-yl)-3,5-bis(1-methyl-1-propyl-indol-1-ium-3-yl)furan-2-one CAS Name: 5-(1-ethyl-2-methyl-3-indolyl)-3,5-bis(1-methyl-1-propyl-3-indol-1-iumyl)-2-furanone IUPAC Name: 5-(1-ethyl-2-methylindol-3-yl)-3,5-bis(1-methyl-1-propylindol-1-ium-3-yl)furan-2-one Traditional Name: 5-(1-ethyl-2-methyl-indol-3-yl)-3,5-bis(1-methyl-1-propyl-indol-1-ium-3-yl)furan-2-one Formula: C39H43N3O2+2 MolecularWeight: 585.77762

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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)CC)C)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)CC)C)C

InChI

InChI=1S/C39H43N3O2/c1-7-22-41(5)25-32(28-16-11-14-20-35(28)41)31-24-39(44-38(31)43,37-27(4)40(9-3)34-19-13-10-18-30(34)37)33-26-42(6,23-8-2)36-21-15-12-17-29(33)36/h10-21,24-26H,7-9,22-23H2,1-6H3/q+2