2-[cycloheptylcarbamothioyl(pyridin-4-ylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[cycloheptylcarbamothioyl(pyridin-4-ylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[cycloheptylcarbamothioyl(4-pyridylmethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(cycloheptylamino)-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[cycloheptylcarbamothioyl(pyridin-4-ylmethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[cycloheptylthiocarbamoyl(4-pyridylmethyl)amino]ethyl-dimethyl-ammonium Formula: C18H31N4S+ MolecularWeight: 335.53054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=NC=C1)C(=S)NC2CCCCCC2

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=NC=C1)C(=S)NC2CCCCCC2

InChI

InChI=1S/C18H30N4S/c1-21(2)13-14-22(15-16-9-11-19-12-10-16)18(23)20-17-7-5-3-4-6-8-17/h9-12,17H,3-8,13-15H2,1-2H3,(H,20,23)/p+1