(3-oxidanylidenebenzo[f]chromen-1-yl)methyl-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: (3-oxo-1-benzo[f][1]benzopyranyl)methyl-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: (3-ketobenzo[f]chromen-1-yl)methyl-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C26H28N2O2+2 MolecularWeight: 400.51272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O2/c29-25-16-21(26-22-11-5-4-8-19(22)12-13-24(26)30-25)17-27-18-23(28-14-6-7-15-28)20-9-2-1-3-10-20/h1-5,8-13,16,23,27H,6-7,14-15,17-18H2/p+2/t23-/m0/s1