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

Systemtic Name: 2,4-bis(1-butyl-1-methoxy-indol-1-ium-3-yl)-2H-furan-5-one Openeye Name: 2,4-bis(1-butyl-1-methoxy-indol-1-ium-3-yl)-2H-furan-5-one CAS Name: 2,4-bis(1-butyl-1-methoxy-3-indol-1-iumyl)-2H-furan-5-one IUPAC Name: 2,4-bis(1-butyl-1-methoxyindol-1-ium-3-yl)-2H-furan-5-one Traditional Name: 2,4-bis(1-butyl-1-methoxy-indol-1-ium-3-yl)-2H-furan-5-one Formula: C30H36N2O4+2 MolecularWeight: 488.61784

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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)(CCCC)OC)OC

Isomeric SMILES

CCCC[N+]1(C=C(C2=CC=CC=C21)C3C=C(C(=O)O3)C4=C[N+](C5=CC=CC=C54)(CCCC)OC)OC

InChI

InChI=1S/C30H36N2O4/c1-5-7-17-31(34-3)20-25(22-13-9-11-15-27(22)31)24-19-29(36-30(24)33)26-21-32(35-4,18-8-6-2)28-16-12-10-14-23(26)28/h9-16,19-21,29H,5-8,17-18H2,1-4H3/q+2