(E)-azanyl-(2-phenylethanoyl)-[[2-(1-sulfonaphthalen-2-yl)phenyl]methylidene]azanium

Systemtic Name: (E)-azanyl-(2-phenylethanoyl)-[[2-(1-sulfonaphthalen-2-yl)phenyl]methylidene]azanium Openeye Name: (E)-amino-(2-phenylacetyl)-[[2-(1-sulfo-2-naphthyl)phenyl]methylene]ammonium CAS Name: (E)-amino-(1-oxo-2-phenylethyl)-[[2-(1-sulfo-2-naphthalenyl)phenyl]methylidene]ammonium IUPAC Name: (E)-amino-(2-phenylacetyl)-[[2-(1-sulfonaphthalen-2-yl)phenyl]methylidene]azanium Traditional Name: (E)-amino-(2-phenylacetyl)-[2-(1-sulfo-2-naphthyl)benzylidene]ammonium Formula: C25H21N2O4S+ MolecularWeight: 445.51024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)[N+](=CC2=CC=CC=C2C3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)/[N+](=C\C2=CC=CC=C2C3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)/N

InChI

InChI=1S/C25H20N2O4S/c26-27(24(28)16-18-8-2-1-3-9-18)17-20-11-5-6-12-21(20)23-15-14-19-10-4-7-13-22(19)25(23)32(29,30)31/h1-15,17H,16,26H2/p+1/b27-17+