(E)-[azanyl-[(phenylmethyl)amino]methylidene]-(phenylmethyl)-(1-sulfanylethyl)azanium

Systemtic Name: (E)-[azanyl-[(phenylmethyl)amino]methylidene]-(phenylmethyl)-(1-sulfanylethyl)azanium Openeye Name: (E)-[amino-(benzylamino)methylene]-benzyl-(1-sulfanylethyl)ammonium CAS Name: (E)-[amino-[(phenylmethyl)amino]methylidene]-(1-mercaptoethyl)-(phenylmethyl)ammonium IUPAC Name: (E)-[amino-(benzylamino)methylidene]-benzyl-(1-sulfanylethyl)azanium Traditional Name: (E)-[amino-(benzylamino)methylene]-benzyl-(1-mercaptoethyl)ammonium Formula: C17H22N3S+ MolecularWeight: 300.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+](=C(N)NCC1=CC=CC=C1)CC2=CC=CC=C2)S

Isomeric SMILES

CC(/[N+](=C(\N)/NCC1=CC=CC=C1)/CC2=CC=CC=C2)S

InChI

InChI=1S/C17H21N3S/c1-14(21)20(13-16-10-6-3-7-11-16)17(18)19-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H3,18,19,21)/p+1