(Z)-azanyl-(2-phenylethanoyl)-[[2-(2-sulfothiophen-3-yl)phenyl]methylidene]azanium

Systemtic Name: (Z)-azanyl-(2-phenylethanoyl)-[[2-(2-sulfothiophen-3-yl)phenyl]methylidene]azanium Openeye Name: (Z)-amino-(2-phenylacetyl)-[[2-(2-sulfo-3-thienyl)phenyl]methylene]ammonium CAS Name: (Z)-amino-(1-oxo-2-phenylethyl)-[[2-(2-sulfo-3-thiophenyl)phenyl]methylidene]ammonium IUPAC Name: (Z)-amino-(2-phenylacetyl)-[[2-(2-sulfothiophen-3-yl)phenyl]methylidene]azanium Traditional Name: (Z)-amino-(2-phenylacetyl)-[2-(2-sulfo-3-thienyl)benzylidene]ammonium Formula: C19H17N2O4S2+ MolecularWeight: 401.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O4S2/c20-21(18(22)12-14-6-2-1-3-7-14)13-15-8-4-5-9-16(15)17-10-11-26-19(17)27(23,24)25/h1-11,13H,12,20H2/p+1/b21-13-