2-[2-(3-carboxylato-1-methyl-indol-2-yl)ethynyl]-1-methyl-indole-3-carboxylate; tetrabutylazanium

Systemtic Name: 2-[2-(3-carboxylato-1-methyl-indol-2-yl)ethynyl]-1-methyl-indole-3-carboxylate; tetrabutylazanium Openeye Name: 2-[2-(3-carboxylato-1-methyl-indol-2-yl)ethynyl]-1-methyl-indole-3-carboxylate; tetrabutylammonium CAS Name: 2-[2-(3-carboxylato-1-methyl-2-indolyl)ethynyl]-1-methyl-3-indolecarboxylate; tetrabutylammonium IUPAC Name: 2-[2-(3-carboxylato-1-methylindol-2-yl)ethynyl]-1-methylindole-3-carboxylate; tetrabutylazanium Traditional Name: 2-[2-(3-carboxylato-1-methyl-indol-2-yl)ethynyl]-1-methyl-indole-3-carboxylate; tetrabutylammonium Formula: C54H86N4O4 MolecularWeight: 855.28504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CN1C2=CC=CC=C2C(=C1C#CC3=C(C4=CC=CC=C4N3C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CN1C2=CC=CC=C2C(=C1C#CC3=C(C4=CC=CC=C4N3C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H16N2O4.2C16H36N/c1-23-15-9-5-3-7-13(15)19(21(25)26)17(23)11-12-18-20(22(27)28)14-8-4-6-10-16(14)24(18)2;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h3-10H,1-2H3,(H,25,26)(H,27,28);2*5-16H2,1-4H3/q;2*+1/p-2