[azanyl(2-azanylethylsulfanyl)methylidene]-ethyl-naphthalen-1-yl-azanium sulfate

Systemtic Name: [azanyl(2-azanylethylsulfanyl)methylidene]-ethyl-naphthalen-1-yl-azanium sulfate Openeye Name: [amino(2-aminoethylsulfanyl)methylene]-ethyl-(1-naphthyl)ammonium sulfate CAS Name: [amino-(2-aminoethylthio)methylidene]-ethyl-(1-naphthalenyl)ammonium sulfate IUPAC Name: [amino(2-aminoethylsulfanyl)methylidene]-ethyl-naphthalen-1-ylazanium sulfate Traditional Name: [amino-(2-aminoethylthio)methylene]-ethyl-(1-naphthyl)ammonium sulfate Formula: C30H40N6O4S3 MolecularWeight: 644.8714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C(N)SCCN)C1=CC=CC2=CC=CC=C21.CC[N+](=C(N)SCCN)C1=CC=CC2=CC=CC=C21.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](=C(N)SCCN)C1=CC=CC2=CC=CC=C21.CC[N+](=C(N)SCCN)C1=CC=CC2=CC=CC=C21.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C15H19N3S.H2O4S/c2*1-2-18(15(17)19-11-10-16)14-9-5-7-12-6-3-4-8-13(12)14;1-5(2,3)4/h2*3-9,17H,2,10-11,16H2,1H3;(H2,1,2,3,4)