dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate

Systemtic Name: dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate Openeye Name: 1-benzyldodecyl(dimethyl)ammonium thiocyanate CAS Name: dimethyl(1-phenyltridecan-2-yl)ammonium thiocyanate IUPAC Name: dimethyl(1-phenyltridecan-2-yl)azanium thiocyanate Traditional Name: 1-benzyldodecyl(dimethyl)ammonium thiocyanate Formula: C22H38N2S MolecularWeight: 362.61552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)C.C(#N)[S-]

Isomeric SMILES

CCCCCCCCCCCC(CC1=CC=CC=C1)[NH+](C)C.C(#N)[S-]

InChI

InChI=1S/C21H37N.CHNS/c1-4-5-6-7-8-9-10-11-15-18-21(22(2)3)19-20-16-13-12-14-17-20;2-1-3/h12-14,16-17,21H,4-11,15,18-19H2,1-3H3;3H