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

Systemtic Name: 2,4-bis(1-methyl-1-propyl-indol-1-ium-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: 2,4-bis(1-methyl-1-propyl-indol-1-ium-3-yl)-4-oxo-butanoic acid CAS Name: 2,4-bis(1-methyl-1-propyl-3-indol-1-iumyl)-4-oxobutanoic acid IUPAC Name: 2,4-bis(1-methyl-1-propylindol-1-ium-3-yl)-4-oxobutanoic acid Traditional Name: 4-keto-2,4-bis(1-methyl-1-propyl-indol-1-ium-3-yl)butyric acid Formula: C28H34N2O3+2 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N2O3/c1-5-15-29(3)18-23(20-11-7-9-13-25(20)29)22(28(32)33)17-27(31)24-19-30(4,16-6-2)26-14-10-8-12-21(24)26/h7-14,18-19,22H,5-6,15-17H2,1-4H3/q+1/p+1