(E)-(carboxymethylamino)methylidene-(4-methylsulfanylphenyl)-(1-phenylethylamino)azanium

Systemtic Name: (E)-(carboxymethylamino)methylidene-(4-methylsulfanylphenyl)-(1-phenylethylamino)azanium Openeye Name: (E)-(carboxymethylamino)methylene-(4-methylsulfanylphenyl)-(1-phenylethylamino)ammonium CAS Name: (E)-(carboxymethylamino)methylidene-[4-(methylthio)phenyl]-(1-phenylethylamino)ammonium IUPAC Name: (E)-(carboxymethylamino)methylidene-(4-methylsulfanylphenyl)-(1-phenylethylamino)azanium Traditional Name: (E)-(carboxymethylamino)methylene-[4-(methylthio)phenyl]-(1-phenylethylamino)ammonium Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N[N+](=CNCC(=O)O)C2=CC=C(C=C2)SC

Isomeric SMILES

CC(C1=CC=CC=C1)N/[N+](=C/NCC(=O)O)/C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H21N3O2S/c1-14(15-6-4-3-5-7-15)20-21(13-19-12-18(22)23)16-8-10-17(24-2)11-9-16/h3-11,13-14,20H,12H2,1-2H3,(H,22,23)/p+1