2-[2,5-bis(oxidanylidene)-1-[(triphenylmethyl)amino]pyrrolidin-1-ium-1-yl]hexanoate

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-[(triphenylmethyl)amino]pyrrolidin-1-ium-1-yl]hexanoate Openeye Name: 2-[2,5-dioxo-1-(tritylamino)pyrrolidin-1-ium-1-yl]hexanoate CAS Name: 2-[2,5-dioxo-1-[(triphenylmethyl)amino]-1-pyrrolidin-1-iumyl]hexanoate IUPAC Name: 2-[2,5-dioxo-1-(tritylamino)pyrrolidin-1-ium-1-yl]hexanoate Traditional Name: 2-[2,5-diketo-1-(tritylamino)pyrrolidin-1-ium-1-yl]hexanoate Formula: C29H30N2O4 MolecularWeight: 470.5595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])[N+]1(C(=O)CCC1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)[O-])[N+]1(C(=O)CCC1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O4/c1-2-3-19-25(28(34)35)31(26(32)20-21-27(31)33)30-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25,30H,2-3,19-21H2,1H3