1-decyl-N,N-diethyl-pyridin-1-ium-3-carbothioamide bromide

Systemtic Name: 1-decyl-N,N-diethyl-pyridin-1-ium-3-carbothioamide bromide Openeye Name: 1-decyl-N,N-diethyl-pyridin-1-ium-3-carbothioamide bromide CAS Name: 1-decyl-N,N-diethyl-3-pyridin-1-iumcarbothioamide bromide IUPAC Name: 1-decyl-N,N-diethylpyridin-1-ium-3-carbothioamide bromide Traditional Name: 1-decyl-N,N-diethyl-pyridin-1-ium-3-carbothioamide bromide Formula: C20H35BrN2S MolecularWeight: 415.4743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=CC(=C1)C(=S)N(CC)CC.[Br-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=CC(=C1)C(=S)N(CC)CC.[Br-]

InChI

InChI=1S/C20H35N2S.BrH/c1-4-7-8-9-10-11-12-13-16-21-17-14-15-19(18-21)20(23)22(5-2)6-3;/h14-15,17-18H,4-13,16H2,1-3H3;1H/q+1;/p-1