N,N-dimethyl-1-(2-methylbutyl)pyridin-1-ium-4-amine thiocyanate

Systemtic Name: N,N-dimethyl-1-(2-methylbutyl)pyridin-1-ium-4-amine thiocyanate Openeye Name: N,N-dimethyl-1-(2-methylbutyl)pyridin-1-ium-4-amine thiocyanate CAS Name: N,N-dimethyl-1-(2-methylbutyl)-4-pyridin-1-iumamine thiocyanate IUPAC Name: N,N-dimethyl-1-(2-methylbutyl)pyridin-1-ium-4-amine thiocyanate Traditional Name: dimethyl-[1-(2-methylbutyl)pyridin-1-ium-4-yl]amine thiocyanate Formula: C13H21N3S MolecularWeight: 251.39094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[N+]1=CC=C(C=C1)N(C)C.C(#N)[S-]

Isomeric SMILES

CCC(C)C[N+]1=CC=C(C=C1)N(C)C.C(#N)[S-]

InChI

InChI=1S/C12H21N2.CHNS/c1-5-11(2)10-14-8-6-12(7-9-14)13(3)4;2-1-3/h6-9,11H,5,10H2,1-4H3;3H/q+1;/p-1