carboxymethyl-(3-cyano-3,3-diphenyl-propyl)-ethyl-(1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium

Systemtic Name: carboxymethyl-(3-cyano-3,3-diphenyl-propyl)-ethyl-(1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium Openeye Name: carboxymethyl-(1-carboxypropyl)-(3-cyano-3,3-diphenyl-propyl)-ethyl-ammonium CAS Name: carboxymethyl-(3-cyano-3,3-diphenylpropyl)-ethyl-(1-hydroxy-1-oxobutan-2-yl)ammonium IUPAC Name: carboxymethyl-(3-cyano-3,3-diphenylpropyl)-ethyl-(1-hydroxy-1-oxobutan-2-yl)azanium Traditional Name: carboxymethyl-(1-carboxypropyl)-(3-cyano-3,3-diphenyl-propyl)-ethyl-ammonium Formula: C24H29N2O4+ MolecularWeight: 409.49806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+](CC)(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCC(C(=O)O)[N+](CC)(CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C24H28N2O4/c1-3-21(23(29)30)26(4-2,17-22(27)28)16-15-24(18-25,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21H,3-4,15-17H2,1-2H3,(H-,27,28,29,30)/p+1