1-methyl-3-[(4S)-4-methylpentadecyl]imidazol-1-ium thiocyanate

Systemtic Name: 1-methyl-3-[(4S)-4-methylpentadecyl]imidazol-1-ium thiocyanate Openeye Name: 1-methyl-3-[(4S)-4-methylpentadecyl]imidazol-1-ium thiocyanate CAS Name: 1-methyl-3-[(4S)-4-methylpentadecyl]imidazol-1-ium thiocyanate IUPAC Name: 1-methyl-3-[(4S)-4-methylpentadecyl]imidazol-1-ium thiocyanate Traditional Name: 1-methyl-3-[(4S)-4-methylpentadecyl]imidazol-1-ium thiocyanate Formula: C21H39N3S MolecularWeight: 365.61946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)CCCN1C=C[N+](=C1)C.C(#N)[S-]

Isomeric SMILES

CCCCCCCCCCC[C@H](C)CCCN1C=C[N+](=C1)C.C(#N)[S-]

InChI

InChI=1S/C20H39N2.CHNS/c1-4-5-6-7-8-9-10-11-12-14-20(2)15-13-16-22-18-17-21(3)19-22;2-1-3/h17-20H,4-16H2,1-3H3;3H/q+1;/p-1/t20-;/m0./s1