2,4-bis(1-butyl-1-methyl-indol-1-ium-3-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2,4-bis(1-butyl-1-methyl-indol-1-ium-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: 2,4-bis(1-butyl-1-methyl-indol-1-ium-3-yl)-4-oxo-butanoic acid CAS Name: 2,4-bis(1-butyl-1-methyl-3-indol-1-iumyl)-4-oxobutanoic acid IUPAC Name: 2,4-bis(1-butyl-1-methylindol-1-ium-3-yl)-4-oxobutanoic acid Traditional Name: 2,4-bis(1-butyl-1-methyl-indol-1-ium-3-yl)-4-keto-butyric acid Formula: C30H38N2O3+2 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=C(C2=CC=CC=C21)C(CC(=O)C3=C[N+](C4=CC=CC=C43)(C)CCCC)C(=O)O)C

Isomeric SMILES

CCCC[N+]1(C=C(C2=CC=CC=C21)C(CC(=O)C3=C[N+](C4=CC=CC=C43)(C)CCCC)C(=O)O)C

InChI

InChI=1S/C30H37N2O3/c1-5-7-17-31(3)20-25(22-13-9-11-15-27(22)31)24(30(34)35)19-29(33)26-21-32(4,18-8-6-2)28-16-12-10-14-23(26)28/h9-16,20-21,24H,5-8,17-19H2,1-4H3/q+1/p+1